SCHEMBL15417701

SCHEMBL15417701

NCC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCC4)CC3)cc2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 11/20 0.63
▸ BAD Q92934 4/20 0.62
▸ BCL2L1 Q07817 12/20 0.61
▸ BCL2L2 Q92843 3/20 0.61
▸ BCL2L11 O43521 2/20 0.61
▸ MCL1 Q07820 2/20 0.61
▸ ASPH Q12797 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MDM4 O15151 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ BID P55957 1/20 0.57
▸ BAX Q07812 1/20 0.57
▸ BECN1 Q14457 1/20 0.57
▸ BAK1 Q16611 1/20 0.57
▸ BBC3 Q9BXH1 1/20 0.57
▸ HDAC3 O15379 3/20 0.54
▸ HDAC4 P56524 3/20 0.54
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC7 Q8WUI4 3/20 0.54
▸ HDAC2 Q92769 3/20 0.54

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
SCHEMBL14463310 0.93 BCL2 (0.64) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL12574586 0.93 BCL2 (0.63) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL7872304 0.88 BCL2L1 (0.67) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL19425214 0.86 BCL2 (0.73) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL19425083 0.86 BCL2 (0.73) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL19424240 0.86 BCL2 (0.72) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL19424355 0.85 BCL2 (0.74) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL1628848 0.85 BCL2L1 (0.79) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL2020908 0.85 BCL2L1 (0.79) BCL2BADBCL2L1BCL2L2BCL2L11
SCHEMBL19425549 0.84 BCL2L1 (0.73) BCL2BADBCL2L1BCL2L2BCL2L11

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-8624027-B2 Combination therapy for treating cancer and diagnostic assays for use therein ABBVIE INC. (US) 2014-01-07 — — US disclosed
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