SCHEMBL327664

SCHEMBL327664

Cn1c2cc(C=O)ccc2c2ccc(C=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
PTGER4 P35408 3/20 0.44
ALDH1A1 P00352 8/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KIF11 P52732 2/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR3 P46089 1/20 0.39
ALDH1A3 P47895 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AOX1 Q06278 1/20 0.37

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
SCHEMBL11180624 0.91 GPR3 (0.57) CYP2A6PTGER4ALDH1A1TSHRKDM4E
SCHEMBL30408484 0.83 CYP2A6 (0.46) CYP2A6PTGER4ALDH1A1TSHRKDM4E
SCHEMBL2713434 0.83 CYP2A6 (0.53) CYP2A6PTGER4ALDH1A1TSHRKDM4E
SCHEMBL31711447 0.83 CYP2A6 (0.53) CYP2A6PTGER4ALDH1A1TSHRKDM4E
SCHEMBL5521926 0.79 PLA2G4A (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL718797 0.79 PTGER4 (0.64) PTGER4ALDH1A1KDM4ERAB9AHPGD
SCHEMBL14732490 0.79 CYP2A6 (0.46) CYP2A6PTGER4ALDH1A1TSHRKDM4E
SCHEMBL29570020 0.79 PTGER4 (0.64) PTGER4ALDH1A1KDM4ERAB9AHPGD
SCHEMBL27997757 0.78 ALDH1A1 (0.42) CYP2A6ALDH1A1TSHRKDM4EKIF11
SCHEMBL18104492 0.78 PTGER4 (0.61) CYP2A6PTGER4ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134143-B2 2,7-carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-03-13 US disclosed
US-20070176163-A1 2,7-Carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-08-02 US disclosed