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Sugi Predict / Compounds / SCHEMBL175012

SCHEMBL175012

SCHEMBL175012

C[C@H]1[C@H]2C[C@H](C[C@H]1NS(=O)(=O)c1ccc(NC(=O)N(Cc3cccnc3)N(Cc3cccnc3)C(=O)Nc3ccc(S(=O)(=O)N4CCN(c5cccc(C(F)(F)F)n5)CC4)cc3)cc1)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.57
▸ CYP2C9 P11712 2/20 0.40

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
SCHEMBL175013 0.91 NAMPT (0.71) NAMPTCYP2C9
SCHEMBL29635648 0.75 NAMPT (0.70) NAMPTCYP2C9
SCHEMBL165348 0.75 NAMPT (0.70) NAMPTCYP2C9
SCHEMBL12503638 0.73 NAMPT (1.00) NAMPT
SCHEMBL12503635 0.73 NAMPT (1.00) NAMPT
SCHEMBL29635872 0.73 NAMPT (1.00) NAMPT
SCHEMBL15311070 0.73 NAMPT (1.00) NAMPT
SCHEMBL12503636 0.73 NAMPT (1.00) NAMPT
SCHEMBL1870745 0.65 F13A1 (0.75) —
SCHEMBL167351 0.63 NAMPT (0.76) NAMPTCYP2C9

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-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 — — EP disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 — — WO disclosed