SCHEMBL16634703

SCHEMBL16634703

N#Cc1ccc(-n2c(=O)[nH]c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.52
OPRM1 P35372 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AURKA O14965 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TNKS O95271 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
DAO P14920 1/20 0.45
HSP90AA1 P07900 4/20 0.44
TNKS2 Q9H2K2 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL6982752 0.85 TP53 (0.58) KDM4EMAPTCYP1A2POLB
SCHEMBL31435021 0.82 MEN1 (0.62) PGRKDM4ELMNAMEN1KMT2A
SCHEMBL699273 0.81 LMNA (0.65) KDM4ELMNAMEN1KMT2AAURKA
SCHEMBL29367625 0.81 LMNA (0.65) KDM4ELMNAMEN1KMT2AAURKA
SCHEMBL16657403 0.80 TNKS (0.48) PGRLMNAMEN1KMT2AL3MBTL1
SCHEMBL23119669 0.79 LMNA (0.67) OPRM1KDM4ELMNAMEN1KMT2A
SCHEMBL8156714 0.79 GABRP (0.52) PGRKDM4ELMNAMEN1KMT2A
SCHEMBL4098385 0.79 AURKA (0.56) KDM4ELMNAMEN1KMT2AAURKA
SCHEMBL9994946 0.79 HTT (0.56) OPRM1KDM4ELMNAMEN1KMT2A
SCHEMBL21463893 0.77 PGR (0.49) PGRKDM4ELMNAMEN1KMT2A

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed