SCHEMBL1077899

SCHEMBL1077899

COc1ccc(-n2c(C)nc(C(N)=O)c2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.59
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ PARP4 Q9UKK3 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTR2A P28223 6/20 0.44
▸ HTR2C P28335 6/20 0.44

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
SCHEMBL1078865 0.82 MEN1 (0.52) MAPK1ALDH1A1GAANPC1L3MBTL1
SCHEMBL16063426 0.81 CNR1 (0.54) GRM5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL1076424 0.74 TSHR (0.51) ALDH1A1GAAL3MBTL1LMNAHTR2A
SCHEMBL24137329 0.73 KDM1A (0.69) —
SCHEMBL1079479 0.72 PIK3R2 (0.51) GRM5MAPK1GAAPARP1PARP2
SCHEMBL1080644 0.71 HTR2A (0.49) ALDH1A1NPC1CSNK2A1MEN1KMT2A
SCHEMBL28668013 0.71 NPC1 (0.51) MAPK1ALDH1A1GAANPC1CA1
SCHEMBL21068989 0.70 KDM1A (0.43) GRM5ALDH1A1GAAMAPT
SCHEMBL15004825 0.70 PARP10 (0.52) MAPK1ALDH1A1GAANPC1L3MBTL1
SCHEMBL4961512 0.70 CNR1 (0.55) GRM5ALDH1A1GAAL3MBTL1MEN1

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-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 — — WO disclosed
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