SCHEMBL14748847

SCHEMBL14748847

c1ccc(-c2cc3cscc3cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
CYP2B6 P20813 2/20 0.52
BACE1 P56817 1/20 0.44
PTGS2 P35354 2/20 0.42
CYP2E1 P05181 1/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 2/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 1/20 0.37
HSD17B10 Q99714 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL24063287 0.84 CYP2A6 (0.48) CYP2A6CYP2B6ALDH1A1KDM4EMAOB
SCHEMBL2482864 0.81 BACE1 (0.55) CYP2A6BACE1PTGS2ALDH1A1KDM4E
SCHEMBL30831225 0.81 BACE1 (0.55) CYP2A6BACE1PTGS2ALDH1A1KDM4E
SCHEMBL19579580 0.78 PTGS2 (0.59) CYP2A6BACE1PTGS2ALDH1A1KDM4E
SCHEMBL2745162 0.78 CYP2A6 (0.68) CYP2A6CYP2B6BACE1PTGS2CYP2E1
SCHEMBL30831199 0.78 PTGS2 (0.59) CYP2A6BACE1PTGS2ALDH1A1KDM4E
SCHEMBL12270243 0.77 CYP2A6 (0.60) CYP2A6CYP2B6BACE1PTGS2CYP2E1
SCHEMBL4082425 0.74 BACE1 (0.61) CYP2A6CYP2B6BACE1PTGS2ALDH1A1
SCHEMBL3202042 0.74 PTGS2 (0.55) CYP2A6BACE1PTGS2ALDH1A1KDM4E
SCHEMBL14880231 0.74 PTGS2 (0.55) CYP2A6BACE1PTGS2ALDH1A1KDM4E

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-20130056074-A1 DYE-SENSITIZED SOLAR CELL AND PRODUCTION METHOD OF THE SAME KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-07 US disclosed
US-20130056074-A1 DYE-SENSITIZED SOLAR CELL AND PRODUCTION METHOD OF THE SAME KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-07 US disclosed