SCHEMBL6173618

SCHEMBL6173618

COc1ccc(C(C)C)cc1-c1ncccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
SYK P43405 2/20 0.41
MKNK2 Q9HBH9 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
PARP1 P09874 2/20 0.40
XBP1 P17861 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.39
CDC7 O00311 2/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL6178487 0.82 LMNA (0.47) AURKARPS6KB1SYKMKNK2MKNK1
SCHEMBL29574629 0.80 PARP1 (0.51) HPGDALDH1A1SMN1; SMN2MKNK2MKNK1
SCHEMBL6175665 0.80 PARP1 (0.51) HPGDALDH1A1SMN1; SMN2MKNK2MKNK1
SCHEMBL25306127 0.80 SCN9A (0.47) CTSASYKMKNK2MKNK1PARP1
SCHEMBL25306800 0.79 L3MBTL1 (0.53) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6174620 0.76 RXRA (0.44) CTSAHPGDALDH1A1SMN1; SMN2AURKA
SCHEMBL20801865 0.75 ADRA1D (0.50) HPGDALDH1A1SMN1; SMN2XBP1MEN1
SCHEMBL13895741 0.72 MKNK1 (0.48) HPGDALDH1A1MKNK2MKNK1XBP1
SCHEMBL7426099 0.72 KDM4E (0.53) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL8940819 0.70 HDAC4 (0.50) HPGDALDH1A1SMN1; SMN2LMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed