SCHEMBL88911

SCHEMBL88911

c1ccc2c(c1)NCCS2

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.96
ALDH1A1 P00352 4/20 0.96
MEN1 O00255 4/20 0.96
KMT2A Q03164 4/20 0.96
RYR2 Q92736 2/20 0.48
MAPT P10636 4/20 0.39
ALOX12 P18054 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
PTGS2 P35354 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3556450 1.00 GAA (0.96) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL29364653 1.00 GAA (0.96) GAAALDH1A1MEN1KMT2ARYR2
Oxalic Acid SCHEMBL27314622 0.89 ALDH1A1 (0.76) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL1395667 0.87 ALDH1A1 (0.74) GAAALDH1A1MEN1KMT2ARYR2
Bromide SCHEMBL9143254 0.85 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL4488535 0.85 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL13646789 0.81 GAA (0.65) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL1367372 0.75 MEN1 (0.58) GAAALDH1A1MEN1KMT2ARYR2
Bromide SCHEMBL11683988 0.74 ALDH1A1 (0.57) GAAALDH1A1MEN1KMT2ARYR2
Hydrochloric Acid SCHEMBL29051623 0.74 ALDH1A1 (0.63) GAAALDH1A1MEN1KMT2ARYR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2647 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851507-B Application of scandium-containing rare earth catalyst in catalysis of para-alkylation reaction of aromatic amine 苏州大学 2022-02-01 CN claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP claimed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US claimed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO claimed
US-8598177-B2 Imidazopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-12-03 US claimed
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 WO claimed
EP-2066653-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2012-09-12 EP claimed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US claimed
US-5300497-A Broad spectrum antibiotics and bactericides; stable to beta-lactamase; effective against antibiotic-resistant bacteria TOYAMA CHEMICAL CO., LTD. (JP) 1994-04-05 US claimed
US-5185330-A Penicillins/ad/ TOYAMA CHEMICAL CO., LTD. (JP) 1993-02-09 US claimed
EP-0257583-B1 PROCESS FOR ORTHO-CYANATION OF PHENOLS OR PHENYLAMINES SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-08 EP claimed
EP-0266849-B1 PROCESS FOR INTRODUCING A THIOCARBOXYLIC ESTER GROUP AT THE ORTHO-POSITION OF PHENOLS OR PHENYLAMINES SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-13 EP claimed
US-4857645-A Process for introducing a thiocarboxylic ester group at the orthoposition of phenols or phenylamines SHIONOGI & CO., LTD. (JP) 1989-08-15 US claimed
US-4774331-A THIOCYANATION IN PRESENCE OF BORON TRIFLUORIDE SHIONOGI & CO., LTD. (JP) 1988-09-27 US claimed
EP-0266849-A1 Process for introducing a thiocarboxylic ester group at the ortho-position of phenols or phenylamines SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-11 EP claimed
EP-0061082-B1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-4H-1,4-BENZOTHIAZINES BAYER AG (DE) 1984-11-28 EP claimed
US-4393206-A DEHYDROCYCLIZATION OF 2-(2-HYDROXYALKYL)-THIOANILINES BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US claimed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US claimed