SCHEMBL13060802

SCHEMBL13060802

CCc1cccc(-c2cccc(C(=O)NC(C)CN(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
PTGS2 P35354 1/20 0.46
UTS2R Q9UKP6 10/20 0.45
ATM Q13315 1/20 0.43
KIFC1 Q9BW19 1/20 0.43
HPGD P15428 1/20 0.43
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL13005455 0.89 HPGDS (0.45) UTS2RATMHPGDHPGDSALDH1A1
SCHEMBL13060676 0.88 BCL2 (0.45) BCL2PTGS2UTS2RKIFC1HPGDS
SCHEMBL13060831 0.88 BCL2 (0.45) BCL2PTGS2UTS2RKIFC1HPGDS
SCHEMBL13061119 0.86 HDAC4 (0.45) BCL2PTGS2UTS2RKIFC1
SCHEMBL13060853 0.86 HDAC4 (0.45) BCL2PTGS2UTS2RKIFC1
SCHEMBL13060697 0.83 MME (0.52) BCL2UTS2RKIFC1HPGDSALDH1A1
SCHEMBL13060860 0.82 BCL2 (0.42) BCL2PTGS2UTS2RKIFC1HPGDS
SCHEMBL13060829 0.82 UTS2R (0.48) BCL2UTS2RHPGDHPGDS
SCHEMBL13061081 0.80 SMYD3 (0.44) BCL2UTS2RKIFC1ALDH1A1CHRM3
SCHEMBL13060678 0.79 UTS2R (0.50) UTS2RKIFC1

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed