SCHEMBL7084829

SCHEMBL7084829

O=C(O)c1ccc2cc(O)c(C(=O)Nc3cccc4ccccc34)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
POLB P06746 3/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL7949392 0.93 NPC1 (0.57) HSD17B10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL14599482 0.90 HSD17B10 (0.60) HSD17B10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL29575361 0.88 NPC1 (0.61) HSD17B10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL31722789 0.88 NPC1 (0.61) HSD17B10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL2743115 0.88 NPC1 (0.61) HSD17B10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6629403 0.84 NPC1 (0.61) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL3925183 0.82 PLG (0.62) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL11687709 0.81 TRPV1 (0.60) NPC1RAB9AKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3922499 0.81 PLG (0.61) HSD17B10NPC1RAB9AKMT2AMEN1
SCHEMBL5060087 0.81 HSD17B10 (1.00) HSD17B10NPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937753-B1 WATER-SOLUBLE AZO COMPOUNDS AND PROCESS FOR PRODUCING THE SAME UENO SEIYAKU OYO KENKYUJO KK (JP) 2003-08-06 EP disclosed
US-6239263-B1 PREPARED FROM A COUPLER CONSISTING OF 2-HYDROXYNAPHTHALENE-3,6-DICARBOXYLIC ACID OR AN ESTER THEREOF OR AN AMIDE DERIVATIVE OF THE SAME AND A DIAZONIUM COMPOUND KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2001-05-29 US disclosed
EP-0984042-A1 WATER-SOLUBLE AZO COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 2000-03-08 EP disclosed
US-6020470-A Water-soluble azo compounds and process for producing the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2000-02-01 US disclosed
EP-0937753-A1 WATER-SOLUBLE AZO COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1999-08-25 EP disclosed