SCHEMBL3398580

SCHEMBL3398580

O=C(c1ccccc1)N(Oc1cccnc1)S(=O)(=O)c1ccc(NC2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.39
BCL2 P10415 11/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCL2L1 Q07817 2/20 0.38
HCAR3 P49019 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL3398579 0.79 BCL2 (0.53) BCL2BCL2L1
SCHEMBL1958128 0.79 BCL2 (0.38) BCL2HCAR3
SCHEMBL3419072 0.77 BCL2 (0.42) BCL2
SCHEMBL2478518 0.77 BCL2L1 (0.53) ALDH3A1BCL2MEN1KMT2ABCL2L1
SCHEMBL1958806 0.76 ALDH3A1 (0.45) ALDH3A1BCL2HCAR3
SCHEMBL1699924 0.74 WNK1 (0.51) ALDH3A1MEN1KMT2AHCAR3POLB
SCHEMBL30112788 0.73 BCL2L1 (0.55) ALDH3A1BCL2MEN1KMT2ABCL2L1
SCHEMBL19204112 0.72 WNK1 (0.51) ALDH3A1MEN1KMT2AHCAR3LMNA
SCHEMBL2480796 0.72 BCL2 (0.45) ALDH3A1BCL2
SCHEMBL1700167 0.71 WNK1 (0.47) KMT2APOLBLMNA

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-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed