SCHEMBL2506578

SCHEMBL2506578

CN(C(=O)CCCn1ccc2cc(F)ccc21)c1cccc2ccccc12.CN(Cc1ccccc1-c1ccco1)C(=O)CCCn1ccc2cc(F)ccc21.COc1ccc(C(=O)CCCC(=O)N(C)Cc2cc(Cl)ccc2OC)cc1.COc1ccc(C)cc1CN(C)C(=O)CCCn1ccc2ccc(F)cc21.COc1ccc(SCCCC(=O)N(C)Cc2cc(C)ccc2N2CCOCC2)cc1.COc1ccc(SCCCC(=O)N(C)Cc2cc(Cl)ccc2OC)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.31

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
SCHEMBL2509504 0.95 ALDH1A1 (0.31) MCL1
SCHEMBL2503349 0.86
SCHEMBL3250338 0.80
SCHEMBL2511932 0.75 RECQL (0.31)
SCHEMBL2483956 0.73 PLA2G7 (0.31) MCL1
SCHEMBL2510860 0.70
SCHEMBL416328 0.69 PPARD (0.37)
SCHEMBL415213 0.68 KMT2A (0.43)
SCHEMBL418373 0.67 NPC1 (0.41)
SCHEMBL416574 0.67 TNF (0.39) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed