SCHEMBL7696399

SCHEMBL7696399

O=C1CCCN1c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 6/20 0.50
AKR1C3 P42330 3/20 0.50
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHKA P35790 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11116934 0.94 ALDH1A1 (0.51) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL31296338 0.89 ALDH1A1 (0.56) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL11142367 0.85 ALDH1A1 (0.74) ALDH1A1HPGDAKR1C3CYP1A2CYP3A4
SCHEMBL14608049 0.84 ALDH1A1 (0.46) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL30730791 0.81 ALDH1A1 (0.48) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL22553727 0.81 ALDH1A1 (0.48) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL28120262 0.81 ALDH1A1 (0.58) ALDH1A1HPGDGAACYP1A2CYP3A4
Pyridine SCHEMBL28869905 0.80 ALDH1A1 (0.50) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL136476 0.79 ALDH1A1 (0.67) ALDH1A1HPGDAKR1C3GAACYP1A2
SCHEMBL31700253 0.78 GAA (0.58) ALDH1A1HPGDGAACYP1A2CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799245-A1 BIODEGRADABLE THERMOPLASTIC STARCHES BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP claimed
WO-1996020220-A1 BIODEGRADABLE THERMOPLASTIC STARCHES BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO claimed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
WO-2024012641-A1 METHOD FOR PRODUCING THERMOPLASTIC POLYSACCHARIDE ESTERS Robert Boyle - Thüringisches Institut für BioWasserstoff- und Umweltforschung e.V. (DE) 2024-01-18 WO disclosed
EP-1473330-B1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO LTD (JP) 2007-02-14 EP disclosed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US disclosed
EP-0458320-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1995-01-04 EP disclosed
US-5188762-A Ferroelectric liquid crystal with high response speed and small temperature dependence CANON KABUSHIKI KAISHA (JP) 1993-02-23 US disclosed
EP-0458320-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-11-27 EP disclosed
WO-1990001478-A1 SYNERGISTIC CORROSION INHIBITORS BASED ON SUBSTITUTED PYRIDINIUM COMPOUNDS SRI INTERNATIONAL (US) 1990-02-22 WO disclosed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4324884-A CONDENSATION POLYMERIZATION OF DIETHER DIANHYDRIDE AND DIAMINE GENERAL ELECTRIC COMPANY (US) 1982-04-13 US disclosed