SCHEMBL9410554

SCHEMBL9410554

COc1ccc2[nH][c]c(C(=O)N(C)c3ccccn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TRPM8 Q7Z2W7 5/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.38
FFAR1 O14842 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTR2C P28335 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
OPRK1 P41145 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 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
SCHEMBL9410555 0.83 APP (0.44) KDM4ETRPM8ALDH1A1HPGDPOLB
SCHEMBL9410548 0.78 KDM4E (0.67) KDM4EALDH1A1HPGDUSP2MEN1
SCHEMBL9524768 0.72 TRPM8 (0.40) KDM4ETRPM8ALDH1A1POLBMEN1
SCHEMBL9410545 0.71 KMT2A (0.46) KDM4EALDH1A1HPGDUSP2MEN1
SCHEMBL9410581 0.70 NPC1 (0.51) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL10643357 0.68 POLB (0.39) KDM4ETRPM8POLBMEN1KMT2A
SCHEMBL9410592 0.67 RAB9A (0.56) ALDH1A1POLBKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6316045 0.64 TSHR (0.58) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL18765244 0.64 GAA (0.57) ALDH1A1KMT2ANPSR1HSD17B10GAA
SCHEMBL761922 0.64 ALOX15 (0.45) KDM4ETRPM8ALDH1A1POLBKMT2A

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-0624575-A1 Substituted indoles and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed