SCHEMBL16634755

SCHEMBL16634755

O=c1[nH]c2ccccc2n1-c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
DAO P14920 1/20 0.47
HSP90AA1 P07900 5/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL699273 0.80 LMNA (0.65) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL29367625 0.80 LMNA (0.65) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL21463671 0.78 DAO (0.50) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL4098385 0.78 AURKA (0.56) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL9994946 0.78 HTT (0.56) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL23119669 0.78 LMNA (0.67) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL8156714 0.78 GABRP (0.52) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL31609285 0.77 L3MBTL1 (0.55) LMNAKMT2AL3MBTL1MAPTKDM4E
SCHEMBL16634744 0.77 L3MBTL1 (0.55) AURKADAOHSP90AA1LMNAMEN1
SCHEMBL29092672 0.76 SMN1; SMN2 (0.51) AURKADAOHSP90AA1LMNAMEN1

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