SCHEMBL24800010

SCHEMBL24800010

CC(c1ccccc1)N(O)COCNc1ccc(S(=O)(=O)Cc2ccc3c(c2)CNC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 10/20 0.37
▸ CYP2D6 P10635 4/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30162802 0.80 ITGB3 (0.39) MLNRDRD2DRD3HTR6ITGB3
SCHEMBL19377473 0.80 ITGB3 (0.39) MLNRDRD2DRD3HTR6ITGB3
SCHEMBL19377094 0.79 MTOR (0.51) MLNRDRD2DRD3HTR6ITGB3
SCHEMBL24800779 0.77 ITGB3 (0.40) MLNRDRD2DRD3HTR6ITGB3
SCHEMBL24801157 0.75 MLNR (0.41) MLNRCYP2D6DRD2DRD3HTR6
SCHEMBL19377663 0.75 HSD17B10 (0.49) MLNRITGB3ITGA2BSCN3A
SCHEMBL19377218 0.75 HSD17B10 (0.49) MLNRITGB3ITGA2BSCN3A
SCHEMBL19377220 0.75 HSD17B10 (0.49) MLNRITGB3ITGA2BSCN3A
SCHEMBL19377349 0.73 MLNR (0.39) MLNRITGB3ITGA2B
SCHEMBL19377030 0.72 POLB (0.38) MLNRDRD2DRD3ITGB3ITGA2B

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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