SCHEMBL24800223

SCHEMBL24800223

Cc1ccc(C(C)NC(=O)Nc2ccc3c(c2)CC(c2ccc4c(c2)CNC4)S3(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.38
▸ ITGA2B P08514 6/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL19377382 0.92 HSD17B10 (0.43) ITGB3ITGA2BMTORHSD17B10ROCK2
SCHEMBL19377377 0.91 ITGB3 (0.46) ITGB3ITGA2BCNR1NPC1POLB
SCHEMBL19377385 0.83 HSD17B10 (0.43) ITGB3ITGA2BMTORHSD17B10ROCK2
SCHEMBL19377374 0.82 ITGB3 (0.46) ITGB3ITGA2BCNR1NPC1POLB
SCHEMBL19377140 0.80 ROCK2 (0.46) MTORHSD17B10ROCK2
SCHEMBL19406960 0.79 ITGB3 (0.41) ITGB3ITGA2BKMT2A
SCHEMBL19406920 0.78 ITGB3 (0.36) ITGB3ITGA2BPOLBHSD17B10
SCHEMBL19377141 0.76 JAK3 (0.46) ITGB3ITGA2BNPC1RAB9AROCK2
SCHEMBL19398891 0.73 ACACB (0.42) —
SCHEMBL19377036 0.73 HSD17B10 (0.42) ITGB3ITGA2BLMNAMTORHSD17B10

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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