Sugi Predict

Sugi Predict / Compounds / SCHEMBL1497758

SCHEMBL1497758

SCHEMBL1497758

[2H]C1(N2CCc3c(ncnc3NS(=O)(=O)c3ccc([AsH][C@H](CCN4CCN(CC)CC4)CSc4ccccc4)c(S(=O)(=O)C(F)(F)F)c3)C2)CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.67
▸ BCL2L1 Q07817 18/20 0.67
▸ BCL2L2 Q92843 2/20 0.46

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
SCHEMBL1497761 1.00 BCL2 (0.67) BCL2BCL2L1BCL2L2
SCHEMBL9951248 0.91 BCL2 (0.78) BCL2BCL2L1BCL2L2
SCHEMBL9951253 0.91 BCL2 (0.78) BCL2BCL2L1BCL2L2
SCHEMBL10166463 0.87 BCL2 (0.78) BCL2BCL2L1BCL2L2
SCHEMBL19410481 0.87 BCL2 (0.78) BCL2BCL2L1BCL2L2
SCHEMBL10166469 0.85 BCL2 (0.86) BCL2BCL2L1BCL2L2
SCHEMBL9951486 0.85 BCL2 (0.91) BCL2BCL2L1BCL2L2
SCHEMBL9950828 0.85 BCL2 (0.91) BCL2BCL2L1BCL2L2
SCHEMBL9951751 0.85 BCL2 (0.80) BCL2BCL2L1BCL2L2
SCHEMBL9952515 0.84 BCL2 (0.76) BCL2BCL2L1BCL2L2

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-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 — — EP disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 — — WO disclosed
Send feedback