SCHEMBL4752137

SCHEMBL4752137

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCN)CC1c1cc[c]cc1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.32
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC1R Q01726 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4749387 1.00 KDM2B (0.32) KDM2BMC4RMC5RMC1RMEN1
SCHEMBL4749384 0.89 MC4R (0.30) MC4RMC5RMC1RMEN1KMT2A
SCHEMBL4752865 0.88
SCHEMBL4749507 0.87 MC4R (0.31) MC4R
SCHEMBL4748997 0.87 MEN1 (0.34) KDM2BMEN1KMT2A
SCHEMBL4749199 0.87 MEN1 (0.34) KDM2BMEN1KMT2A
SCHEMBL4028191 0.85 KIF11 (0.35) KDM2BMEN1KMT2A
SCHEMBL4751647 0.85 KIF11 (0.31) MC4RMC5RMC1RMEN1KMT2A
SCHEMBL4751648 0.85 KIF11 (0.31) MC4RMC5RMC1RMEN1KMT2A
SCHEMBL4751349 0.85 KDM2B (0.33) KDM2BMEN1KMT2A

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed