SCHEMBL1960829

SCHEMBL1960829

O=C(c1ccccc1)N(Oc1cc2cc[nH]c2cc1F)S(=O)(=O)c1ccc(NCC2CCC(O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 18/20 0.41
BCL2L1 Q07817 3/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2506487 0.82 BCL2 (0.42) BCL2
SCHEMBL1956186 0.81 BCL2 (0.49) BCL2BCL2L1
SCHEMBL1954915 0.81 BCL2 (0.43) BCL2BCL2L1
SCHEMBL1960826 0.80 BCL2 (0.55) BCL2BCL2L1
SCHEMBL17419440 0.80 BCL2 (0.45) BCL2BCL2L1
SCHEMBL2480519 0.74 MAPT (0.39) BCL2BCL2L1MAPTMAPK1
SCHEMBL1955330 0.74 BCL2 (0.61) BCL2BCL2L1
SCHEMBL30112869 0.71 BCL2L1 (0.58) BCL2BCL2L1MAPTMAPK1
SCHEMBL1957676 0.70 BCL2 (0.47) BCL2MAPT
SCHEMBL1958955 0.69 BCL2 (0.48) BCL2BCL2L1MAPTMAPK1

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
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP claimed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO claimed