SCHEMBL20159442

SCHEMBL20159442

CCN1N=C(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)CC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 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
SCHEMBL20159251 0.88 NAMPT (0.39) NAMPTHDAC1HDAC2
SCHEMBL20159136 0.85 NAMPT (0.37) NAMPTHDAC1HDAC2
SCHEMBL20139005 0.85 NAMPT (0.57) NAMPT
SCHEMBL20159169 0.85 NAMPT (0.39) NAMPT
SCHEMBL20159253 0.81 NAMPT (0.39) NAMPTHDAC1HDAC2
SCHEMBL20159434 0.81 NAMPT (0.55) NAMPT
SCHEMBL20138884 0.77 NAMPT (0.38) NAMPT
SCHEMBL20159540 0.77 NAMPT (0.38) NAMPT
SCHEMBL20142989 0.77 NAMPT (0.38) NAMPT
SCHEMBL20159518 0.77 NAMPT (0.53) 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