SCHEMBL21751607

SCHEMBL21751607

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 7/20 0.51
BCL2 P10415 13/20 0.48
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
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
SCHEMBL23164961 1.00 BCL2L1 (0.51) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751667 0.93 BCL2L1 (0.59) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751591 0.91 BCL2L1 (0.62) BCL2L1BCL2BCL2L2
SCHEMBL28447129 0.91 BCL2L1 (0.62) BCL2L1BCL2BCL2L2
SCHEMBL21751641 0.87 BCL2L1 (0.49) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL23165399 0.86 SLC6A3 (0.44) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL21751544 0.86 SLC6A3 (0.44) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL26648157 0.85 BCL2L1 (0.69) BCL2L1BCL2ALDH1A1MAPTTSHR
SCHEMBL30857651 0.81 BCL2L1 (0.44) BCL2L1BCL2BCL2L2
SCHEMBL28922111 0.80 BCL2 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041405-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed