SCHEMBL21751667

SCHEMBL21751667

COC(=O)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCC(C)(C)C3)C[C@@H]2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 13/20 0.59
BCL2 P10415 16/20 0.56
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BAD Q92934 2/20 0.38
BCL2L11 O43521 1/20 0.38
CYP2C9 P11712 1/20 0.38
MCL1 Q07820 1/20 0.38
ASPH Q12797 1/20 0.38
BCL2L2 Q92843 1/20 0.38

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
SCHEMBL21751607 0.93 BCL2L1 (0.51) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL23164961 0.93 BCL2L1 (0.51) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751641 0.92 BCL2L1 (0.49) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751544 0.86 SLC6A3 (0.44) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL23165399 0.86 SLC6A3 (0.44) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751591 0.84 BCL2L1 (0.62) BCL2L1BCL2BCL2L2
SCHEMBL28447129 0.84 BCL2L1 (0.62) BCL2L1BCL2BCL2L2
SCHEMBL30857677 0.81 BCL2L1 (0.51) BCL2L1BCL2BADBCL2L11CYP2C9
SCHEMBL30857629 0.81 BCL2L1 (0.51) BCL2L1BCL2BADBCL2L11CYP2C9
SCHEMBL29317976 0.80 BCL2L1 (0.59) BCL2L1BCL2MAPT

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-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed