SCHEMBL21751641

SCHEMBL21751641

COC(=O)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCC(C)(OC)C3)CC2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 10/20 0.49
BCL2 P10415 11/20 0.47
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CHKA P35790 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL21751667 0.92 BCL2L1 (0.59) BCL2L1BCL2MAPTALDH1A1TSHR
SCHEMBL23164961 0.87 BCL2L1 (0.51) BCL2L1BCL2MAPTALDH1A1TSHR
SCHEMBL21751607 0.87 BCL2L1 (0.51) BCL2L1BCL2MAPTALDH1A1TSHR
SCHEMBL21751544 0.85 SLC6A3 (0.44) BCL2L1BCL2MAPTALDH1A1TSHR
SCHEMBL23165399 0.85 SLC6A3 (0.44) BCL2L1BCL2MAPTALDH1A1TSHR
SCHEMBL28447129 0.77 BCL2L1 (0.62) BCL2L1BCL2
SCHEMBL21751591 0.77 BCL2L1 (0.62) BCL2L1BCL2
SCHEMBL23165288 0.76 BCL2L1 (0.54) BCL2L1BCL2
SCHEMBL21751665 0.76 BCL2L1 (0.54) BCL2L1BCL2
SCHEMBL21751694 0.75 BCL2L1 (0.51) BCL2L1BCL2GAA

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
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 CN disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed