SCHEMBL4024700

SCHEMBL4024700

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)C2CCCNC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.35
REN P00797 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CXCR2 P25025 2/20 0.33
CX3CR1 P49238 1/20 0.33
CDK9 P50750 1/20 0.33
RPLP1 P05386 1/20 0.33
RPLP0 P05388 1/20 0.33
RPS17 P08708 1/20 0.33
RPSA P08865 1/20 0.33
RPS2 P15880 1/20 0.33
RPL35A P18077 1/20 0.33
RPL7 P18124 1/20 0.33
RPL17 P18621 1/20 0.33
RPS4Y1 P22090 1/20 0.33
RPS3 P23396 1/20 0.33
RPS12 P25398 1/20 0.33
RPL13 P26373 1/20 0.33
RPL10 P27635 1/20 0.33
RPL12 P30050 1/20 0.33

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
SCHEMBL4018846 0.91 MGLL (0.36) MGLLKCNH2
SCHEMBL4018745 0.86 CXCR2 (0.35) MGLLCXCR2CX3CR1RPLP1RPLP0
SCHEMBL4020652 0.85 MGLL (0.32) MGLLKCNH2
SCHEMBL4024228 0.85 KAT7 (0.33) MGLLCXCR2CX3CR1RPLP1RPLP0
SCHEMBL4805388 0.84 MGLL (0.39) MGLL
SCHEMBL4751652 0.84 MGLL (0.39) MGLL
SCHEMBL4749182 0.84 MGLL (0.39) MGLL
SCHEMBL4805380 0.84 MGLL (0.39) MGLL
SCHEMBL4019244 0.84 MGLL (0.41) MGLL
SCHEMBL4018815 0.83 KDM2B (0.38) KCNH2

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed