SCHEMBL16634530

SCHEMBL16634530

CN(c1ccc2c(c1)[nH]c(=O)n2-c1ccc(C(=O)O)cc1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CSNK2A1 P68400 2/20 0.39
ALDH1A1 P00352 4/20 0.37
USP2 O75604 3/20 0.37
POLB P06746 2/20 0.37
MYC P01106 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16634750 0.75 PARP1 (0.44) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL16634673 0.74 RORC (0.40)
SCHEMBL6840347 0.72 AURKA (0.64) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL702708 0.71 AURKA (0.54) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL11472934 0.71 LCK (0.52) KMT2AMEN1ALDH1A1POLBLCK
SCHEMBL6840348 0.71 KMT2A (0.53) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL20302464 0.71 L3MBTL1 (0.46) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL16634744 0.70 L3MBTL1 (0.55) AURKAKMT2AMEN1LMNAL3MBTL1
SCHEMBL16634743 0.69 AURKA (0.44) AURKAKMT2AMEN1L3MBTL1CSNK2A1
SCHEMBL16634668 0.68 KMT2A (0.45) AURKAKMT2AMEN1LMNAL3MBTL1

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