SCHEMBL24801157

SCHEMBL24801157

O=S(=O)(Cc1ccc2c(c1)CNC2)c1ccc(NC(O)N(O)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 9/20 0.41
▸ CYP2D6 P10635 4/20 0.39
▸ RORC P51449 3/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PNMT P11086 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
SCHEMBL19377347 0.81 RORC (0.44) MLNRRORCDRD2DRD3HTR6
SCHEMBL19377413 0.78 CA12 (0.49) RORCHTTMAPT
SCHEMBL19377184 0.77 NAMPT (0.47) MLNRCYP2D6RORCDRD2DRD3
SCHEMBL24800010 0.75 MLNR (0.37) MLNRCYP2D6DRD2DRD3HTR6
SCHEMBL19377285 0.75 NAMPT (0.62) RORC
SCHEMBL30162802 0.74 ITGB3 (0.39) MLNRRORCDRD2DRD3HTR6
SCHEMBL19377473 0.74 ITGB3 (0.39) MLNRRORCDRD2DRD3HTR6
SCHEMBL19377094 0.72 MTOR (0.51) MLNRRORCDRD2DRD3HTR6
SCHEMBL19377218 0.72 HSD17B10 (0.49) MLNRRORCHSD17B10
SCHEMBL19377220 0.72 HSD17B10 (0.49) MLNRRORCHSD17B10

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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