SCHEMBL20159436

SCHEMBL20159436

CC1CC(=O)N(CC(F)F)N=C1c1ccc(NC(=O)N2Cc3ccc(N)nc3C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
NAMPT P43490 17/20 0.37

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
SCHEMBL20142989 0.91 NAMPT (0.38) NAMPT
SCHEMBL20138884 0.91 NAMPT (0.38) NAMPT
SCHEMBL20159540 0.91 NAMPT (0.38) NAMPT
SCHEMBL20159164 0.87 NAMPT (0.42) NAMPT
SCHEMBL20159147 0.86 NAMPT (0.39) NAMPT
SCHEMBL20159432 0.86 NAMPT (0.53) NAMPT
SCHEMBL20159197 0.85 NAMPT (0.44) NAMPT
SCHEMBL20159186 0.85 NAMPT (0.44) NAMPT
SCHEMBL20159201 0.85 NAMPT (0.44) NAMPT
SCHEMBL20159742 0.84 NAMPT (0.36) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed