SCHEMBL4612152

SCHEMBL4612152

C[S+]([O-])Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
HRH1 P35367 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 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
SCHEMBL28140567 1.00 HRH3 (0.46) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL28319826 0.83 HRH1 (0.48) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL12854110 0.80 HRH3 (0.43) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL14344252 0.79 HRH3 (0.42) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL25761409 0.77 HRH3 (0.41) HRH3HRH1ALDH1A1LMNATAAR1
Hydrochloric Acid SCHEMBL9756590 0.76 HRH1 (0.42) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL11253725 0.76 MAOA (0.43) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL11263547 0.74 HRH1 (0.42) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL25761570 0.74 CYP1A2 (0.41) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL2398500 0.73 CTDSP1 (0.42) HRH1CYP1A2

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

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188965-A1 SYNTHETIC HEPARIN MIMETICS AND USES THEREOF Massachusetts Institute of Technology (US) 2023-06-07 EP disclosed
US-20220143272-A1 SYNTHETIC HEPARIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-12 US disclosed
WO-2022015902-A1 SYNTHETIC HEPARIN MIMETICS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-01-20 WO disclosed
CN-105102444-B Sulfomimino-containing 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives 拜耳医药股份有限公司 2017-08-01 CN disclosed
EP-1421091-A4 SACCHARIDE SULFATION METHODS IVAX RESEARCH INC (US) 2008-02-20 EP disclosed
US-20050119469-A1 Saccharide sulfation methods AHMED, TAHIR 2005-06-02 US disclosed
EP-1421091-A1 SACCHARIDE SULFATION METHODS Ivax Research, Inc. (US) 2004-05-26 EP disclosed
WO-2003020735-A1 SACCHARIDE SULFATION METHODS IVAX RESEARCH, INC. (US) 2003-03-13 WO disclosed