SCHEMBL9213632

SCHEMBL9213632

Cn1ccnc1SCC=CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGES O14684 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL9213622 1.00 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9209108 0.86 ACAT1 (0.57)
SCHEMBL9208497 0.86 ACAT1 (0.54)
SCHEMBL9210502 0.85 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9211240 0.85 ACAT1 (0.59)
SCHEMBL9213144 0.85 ACAT1 (0.59)
Hydrochloric Acid SCHEMBL9212101 0.85 ACAT1 (0.53) KDM4E
SCHEMBL9668750 0.85 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9214196 0.84 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9212595 0.84 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDL3MBTL1

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