SCHEMBL9211133

SCHEMBL9211133

Cn1ccnc1SCCCSc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48

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
SCHEMBL9211101 0.90 KDM4E (0.46) MAPK14
SCHEMBL9208497 0.89 ACAT1 (0.54)
Hydrochloric Acid SCHEMBL9212101 0.88 ACAT1 (0.53)
SCHEMBL9209108 0.87 ACAT1 (0.57)
SCHEMBL9211240 0.86 ACAT1 (0.59)
SCHEMBL9213144 0.86 ACAT1 (0.59)
SCHEMBL11172467 0.83 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
Bromide SCHEMBL11188991 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
Maleic Acid SCHEMBL9215913 0.82 KDM4E (0.48)
SCHEMBL11176876 0.81 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505468-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ACYL COENZYME-A INHIBITORS RHONE POULENC SANTE (FR) 1995-04-26 EP claimed
EP-0505468-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ACYL COENZYME-A INHIBITORS RHONE POULENC SANTE (FR) 1995-04-26 EP disclosed
WO-1991009021-A1 IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-06-27 WO disclosed