SCHEMBL19940459

SCHEMBL19940459

CC1(C)CCC(CN2CC=C(c3ccc(C(=O)NSc4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.63
▸ BCL2L1 Q07817 1/20 0.57

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
SCHEMBL19940521 0.92 BCL2 (0.59) BCL2
SCHEMBL19940272 0.91 BCL2 (0.77) BCL2BCL2L1
SCHEMBL19940291 0.90 BCL2 (0.61) BCL2BCL2L1
SCHEMBL19939521 0.89 BCL2 (0.75) BCL2BCL2L1
SCHEMBL19940313 0.88 BCL2 (0.63) BCL2BCL2L1
SCHEMBL19939594 0.88 BCL2 (0.69) BCL2BCL2L1
SCHEMBL19940256 0.87 BCL2 (0.62) BCL2BCL2L1
SCHEMBL19940511 0.86 BCL2 (0.75) BCL2BCL2L1
SCHEMBL19940263 0.85 BCL2 (0.70) BCL2
Hydrochloric Acid SCHEMBL28679337 0.85 BCL2 (0.69) BCL2

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-2018041248-A1 BCL-2 SELECTIVE INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2018-03-08 — — WO disclosed
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