SCHEMBL23048288

SCHEMBL23048288

CCc1ccc([S+](C)[O-])cc1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL15186243 0.77 L3MBTL1 (0.33) NOS3NOS1NOS2
SCHEMBL15933317 0.77 HSD17B1 (0.35) NOS3NOS1NOS2
SCHEMBL15030378 0.76 TDP1 (0.41)
SCHEMBL18402879 0.74 RAPGEF4 (0.36)
SCHEMBL17787348 0.73 DAO (0.38)
SCHEMBL11947811 0.72 PRKCI (0.30)
SCHEMBL15658672 0.71 ALDH1A1 (0.36)
SCHEMBL16492215 0.71 ALDH1A1 (0.36)
SCHEMBL11684162 0.71 TP53 (0.48)
SCHEMBL38658544 0.69 RXRB (0.42)

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-3786156-A1 10H-PHENOTHIAZINE FERROPTOSIS INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Chengdu Henghao Investment Co. Limited (CN) 2021-03-03 EP disclosed