SCHEMBL24800552

SCHEMBL24800552

CC(NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc3c(c2)CNC3)cc1)c1ccc(O)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.38
▸ MLNR O43193 6/20 0.37
▸ RORC P51449 3/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ SCN3A Q9NY46 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
SCHEMBL19377226 0.90 ITGB3 (0.37) NAMPTMLNRRORCCYP2D6CA12
SCHEMBL19377472 0.90 IDH1 (0.46) IDH1
SCHEMBL19377245 0.86 MLNR (0.42) NAMPTMLNRRORCCYP2C9CYP2D6
SCHEMBL19377448 0.86 MLNR (0.40) NAMPTMLNRRORCCYP2C9DRD2
SCHEMBL19377218 0.86 HSD17B10 (0.49) NAMPTMLNRRORCCYP2C9CA12
SCHEMBL19377663 0.86 HSD17B10 (0.49) NAMPTMLNRRORCCYP2C9CA12
SCHEMBL19377220 0.86 HSD17B10 (0.49) NAMPTMLNRRORCCYP2C9CA12
SCHEMBL19377104 0.85 POLB (0.40) NAMPTMLNRCA12CA1CA2
SCHEMBL24800040 0.85 MLNR (0.39) NAMPTMLNRCYP2C9DRD2DRD3
SCHEMBL19377261 0.83 CA12 (0.49) NAMPTMLNRRORCCYP2D6DRD2

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
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 — — EP disclosed
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