SCHEMBL6994512

SCHEMBL6994512

CC(=O)Oc1ccc(OCc2ccccc2)cc1/C=C/c1cc2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
ALB P02768 1/20 0.44
ALOX5 P09917 2/20 0.41
PTPN1 P18031 1/20 0.41
MAOB P27338 3/20 0.41
PPARG P37231 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGES O14684 1/20 0.39
PSEN1 P49768 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
SCHEMBL6994514 1.00 SRD5A2 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL6993353 0.83 MEN1 (0.52) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL6993349 0.83 MEN1 (0.52) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL6996716 0.81 ALB (0.47) MEN1NPC1RAB9AKMT2AALB
SCHEMBL6996712 0.81 ALB (0.47) MEN1NPC1RAB9AKMT2AALB
SCHEMBL6989986 0.81 ALB (0.51) MEN1NPC1RAB9AKMT2AALB
SCHEMBL6989987 0.81 ALB (0.51) MEN1NPC1RAB9AKMT2AALB
SCHEMBL6991265 0.80 KMT2A (0.58) MEN1NPC1RAB9AKMT2AALB
SCHEMBL6991270 0.80 KMT2A (0.58) MEN1NPC1RAB9AKMT2AALB
SCHEMBL8532502 0.77 SRD5A2 (0.56) SRD5A2MEN1NPC1RAB9AKMT2A

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
EP-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed