SCHEMBL6965342

SCHEMBL6965342

Cc1cc(C)cc(Sc2c(C(C)C)nc(CO)n2C)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6970293 0.89
SCHEMBL7079960 0.87 TLR8 (0.32)
SCHEMBL6163272 0.85 HSP90B1 (0.33)
SCHEMBL6969051 0.85 GCGR (0.32)
SCHEMBL6969457 0.85
SCHEMBL6961746 0.84 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL6976916 0.84 DHODH (0.35)
SCHEMBL6970602 0.83 DHODH (0.31)
SCHEMBL6973709 0.82 GCGR (0.34) SMN1; SMN2
SCHEMBL6968786 0.82 SMN1; SMN2 (0.45) POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed