SCHEMBL6178487

SCHEMBL6178487

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
DHODH Q02127 1/20 0.44
SLC9A1 P19634 2/20 0.44
CDK9 P50750 3/20 0.43
CCNT1 O60563 2/20 0.43
LRRK2 Q5S007 1/20 0.43
SYK P43405 1/20 0.43
CDC7 O00311 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CSF1R P07333 3/20 0.41

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
SCHEMBL6175665 0.85 PARP1 (0.51) LMNAHTTCDK9CCNT1CDC7
SCHEMBL29574629 0.85 PARP1 (0.51) LMNAHTTCDK9CCNT1CDC7
SCHEMBL6173618 0.82 CTSA (0.43) LMNASYKCDC7MKNK1MKNK2
SCHEMBL25306127 0.81 SCN9A (0.47) SYKMKNK1MKNK2PARP1
SCHEMBL25306800 0.81 L3MBTL1 (0.53) LMNAHTT
SCHEMBL15324278 0.80 MAPK11 (0.53) LMNAHTTAURKARPS6KB1PARP1
SCHEMBL29706670 0.80 LMNA (0.52) LMNAHTTSLC9A1CDK9CCNT1
SCHEMBL30658173 0.80 MAPK11 (0.53) LMNAHTTAURKARPS6KB1PARP1
SCHEMBL25307436 0.78 HTR5A (0.47) LMNAHTTDHODHCDK9CCNT1
SCHEMBL30292714 0.75 GPBAR1 (0.49) SLC9A1CDK9CCNT1CDC7MKNK1

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