SCHEMBL10980677

SCHEMBL10980677

CC(=O)N1C[S+]([O-])c2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.50
▸ HSD17B3 P37058 10/20 0.46
▸ AVPR1A P37288 1/20 0.38
▸ MYC P01106 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 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
SCHEMBL24439313 0.68 HSD17B3 (0.41) NOTUMHSD17B3MAPT
SCHEMBL28984695 0.67 NOTUM (0.60) NOTUMHSD17B3AVPR1AMAPTHPGD
SCHEMBL5795715 0.67 NOTUM (1.00) NOTUMHSD17B3LMNA
SCHEMBL5793078 0.67 NOTUM (1.00) NOTUMHSD17B3LMNA
SCHEMBL11629912 0.67 NOTUM (0.43) NOTUMHSD17B3AVPR1ALMNA
SCHEMBL28356861 0.65 NOTUM (0.62) NOTUMHSD17B3AVPR1A
SCHEMBL9260245 0.64 HSD17B3 (0.46) NOTUMHSD17B3MAPT
SCHEMBL10353039 0.64 NOTUM (0.61) NOTUMHSD17B3AVPR1AMAPTLMNA
SCHEMBL9485406 0.64 ALDH1A1 (0.41) MAPTHPGDLMNA
SCHEMBL5009163 0.64 NOTUM (1.00) NOTUMHSD17B3AVPR1AMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60105671-A — — None — — JP disclosed
JP-S60105671-A BENZOTHIAZOLONE DERIVATIVE, PRODUCTION THEREOF AND AGRICULTURAL AND HORTICULTURAL GERMICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT IDEMITSU KOSAN CO LTD 1985-06-11 — — JP disclosed
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