SCHEMBL3466792

SCHEMBL3466792

COc1ccc(-c2ccc(C)c(N)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
KDM1A O60341 2/20 0.46
KATNA1 O75449 1/20 0.45
TNKS O95271 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
KIT P10721 1/20 0.43
PTGER4 P35408 1/20 0.43
DYRK1A Q13627 2/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL18848885 0.83 TNKS (0.44) CYP11B1KDM1ATNKSRXFP1NPC1
SCHEMBL3342956 0.81 CYP11B1 (0.52) CYP11B1KDM1AKATNA1NPC1RAB9A
SCHEMBL3466788 0.80 CASP1 (0.50) CYP11B1KDM1ATNKSRXFP1PTGER4
SCHEMBL7232835 0.79 CCR1 (0.58) CYP11B1KATNA1NPC1RAB9ACASP3
SCHEMBL375549 0.79 DYRK1A (0.53) NPC1RAB9ACASP3SENP7DYRK1A
SCHEMBL30955282 0.79 CYP3A4 (0.53) CYP11B1KDM1AKATNA1NPC1RAB9A
SCHEMBL17754087 0.78 RXFP1 (0.54) CYP11B1KDM1ARXFP1NPC1RAB9A
SCHEMBL23154072 0.77 RXFP1 (0.42) KDM1ATNKSRXFP1NPC1RAB9A
SCHEMBL27436328 0.76 CYP11B1 (0.48) CYP11B1KDM1AKATNA1NPC1RAB9A
SCHEMBL8023947 0.76 PTGER4 (0.48) CYP11B1TNKSRXFP1NPC1RAB9A

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
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed