SCHEMBL30152302

SCHEMBL30152302

Nc1ccc(O)cc1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.49
CYP17A1 P05093 8/20 0.49
CYP11B1 P15538 7/20 0.49
CYP3A4 P08684 6/20 0.49
CYP19A1 P11511 9/20 0.49
ALOX5 P09917 1/20 0.41
SLC2A4 P14672 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21010919 0.85 ESR1 (0.52) ALOX5MEN1MAPTKMT2AKDM4E
SCHEMBL10421264 0.80 CA14 (0.44) CYP3A4ALOX5MEN1MAPTKMT2A
SCHEMBL21010916 0.76 ESR1 (0.56) CYP3A4ALOX5MEN1MAPTKMT2A
SCHEMBL21010894 0.76 ESR1 (0.56) CYP3A4ALOX5MEN1MAPTKMT2A
SCHEMBL21011165 0.74 ESR2 (0.48) CYP11B2CYP17A1CYP11B1CYP3A4CYP19A1
SCHEMBL12110844 0.74 ESR1 (0.48) CYP3A4ALOX5MEN1MAPTKMT2A
SCHEMBL6335548 0.73 CYP11B1 (0.47) CYP11B2CYP17A1CYP11B1CYP3A4CYP19A1
SCHEMBL21010880 0.72 ESR1 (0.56) ALOX5MEN1MAPTKMT2AKDM4E
SCHEMBL9128639 0.72 ESR1 (0.70) CYP11B2CYP17A1CYP11B1CYP3A4CYP19A1
SCHEMBL21010917 0.71 ESR1 (0.54) ALOX5MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed