SCHEMBL8960003

SCHEMBL8960003

COc1ccc(C=CC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
MAOB P27338 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 6/20 0.60
PADI4 Q9UM07 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
MAOA P21397 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ABCG2 Q9UNQ0 3/20 0.59

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
SCHEMBL8959997 1.00 NPC1 (0.73) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL31745436 0.91 MAOB (0.62) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL657690 0.85 NPC1 (1.00) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL29522745 0.85 NPC1 (1.00) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL657691 0.85 NPC1 (1.00) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL8959963 0.79 NPC1 (0.68) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL8959956 0.79 NPC1 (0.68) NPC1RAB9ATDP1MAOBSMN1; SMN2
SCHEMBL14692452 0.77 MAPT (0.72) NPC1RAB9AMAOBSMN1; SMN2MAPT
SCHEMBL30384796 0.77 MAPT (0.72) NPC1RAB9AMAOBSMN1; SMN2MAPT
SCHEMBL14692453 0.77 MAPT (0.72) NPC1RAB9AMAOBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed