SCHEMBL6966552

SCHEMBL6966552

CNCc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccncc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
GNRHR P30968 1/20 0.31
S1PR3 Q99500 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
SCHEMBL7086493 0.91 GRIN1 (0.35) ENPP2PRMT6S1PR3
SCHEMBL6973648 0.88 KCNH2 (0.34) PRMT6
SCHEMBL6961249 0.88 GRIN1 (0.38) PRMT6GNRHRS1PR3
SCHEMBL7082084 0.88 ENPP2 (0.35) ENPP2S1PR3
SCHEMBL7083358 0.87 KCNK13 (0.32) ENPP2
SCHEMBL6960983 0.87 ENPP2 (0.32) ENPP2
SCHEMBL6974781 0.87 ENPP2 (0.35) ENPP2S1PR3
SCHEMBL6973102 0.87 ALOX5 (0.36) ENPP2GNRHR
SCHEMBL6961221 0.87
SCHEMBL6960328 0.86 ALDH1A1 (0.37) PRMT6

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-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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed