SCHEMBL24136185

SCHEMBL24136185

CCc1ccc(OC)c2cc(CC)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
NQO2 P16083 6/20 0.38
PRMT1 Q99873 1/20 0.36
KMT2A Q03164 2/20 0.35
MC4R P32245 1/20 0.35
MAPT P10636 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NQO1 P15559 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GSK3B P49841 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24136191 0.83 L3MBTL1 (0.34) CYP19A1NQO2PRMT1KMT2AMC4R
SCHEMBL8015186 0.72 RHEB (0.47) CYP19A1NQO2KMT2AMAPTKDM4E
SCHEMBL18271426 0.67 MAPT (0.44) KMT2AMAPTRXFP1TSHRNPSR1
SCHEMBL15993878 0.67 TDP1 (0.47) CYP19A1NQO2KMT2AMAPTTSHR
SCHEMBL8429646 0.66 CYP2C9 (0.57) KMT2AMAPTNQO1TSHRKDM4E
SCHEMBL17013396 0.65 L3MBTL1 (0.49) KMT2AMAPTTSHRNPSR1KDM4E
SCHEMBL16157998 0.64 BRD9 (0.40) CYP19A1NQO2MAPTBRD9TAAR1
SCHEMBL29764716 0.63 L3MBTL1 (0.35) CYP19A1NQO2MC4RBRD9TAAR1
SCHEMBL25469348 0.62 KDM4E (0.43) KMT2AMAPTTSHRKDM4EL3MBTL1
SCHEMBL644451 0.62 KMT2A (0.55) CYP19A1NQO2KMT2AMAPTKDM4E

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
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed