SCHEMBL6974766

SCHEMBL6974766

Cc1cc(C)cc(Sc2c(C(C)C)nc(C=O)n2C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL6969225 0.85 MAPT (0.33) MAPTHTTNPSR1SMN1; SMN2
SCHEMBL6974360 0.85
SCHEMBL6970027 0.83 KDM4E (0.37)
SCHEMBL6970030 0.83 KDM4E (0.37)
SCHEMBL6964200 0.82 MAPT (0.37) MAPTHTTNPSR1HPGDPOLB
SCHEMBL6165204 0.81 NOTUM (0.31) NOTUM
SCHEMBL6965624 0.78 NPSR1 (0.36) MAPTHTTNPSR1HPGDNOTUM
SCHEMBL6967902 0.78 NPSR1 (0.39) MAPTHTTNPSR1HPGDSMN1; SMN2
SCHEMBL6965342 0.75 NOTUM (0.31) POLBSMN1; SMN2NOTUM
SCHEMBL6964074 0.74 HSP90AA1 (0.42) MAPTHTTNPSR1HPGDPOLB

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