SCHEMBL10335127

SCHEMBL10335127

NN(CCS(=O)(=O)O)c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8573882 0.88 CA12 (0.38) ALDH1A1
SCHEMBL27420820 0.77 MAPT (0.35) ALDH1A1
SCHEMBL1357506 0.76 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL13452282 0.76 CA12 (0.35) ALDH1A1TSHR
SCHEMBL22375572 0.75 TSHR (0.46) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27435540 0.75 HCRTR2 (0.36) ALDH1A1TSHR
SCHEMBL8817894 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18268215 0.74 TAAR1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL10357898 0.73 KMT2A (0.46) ALDH1A1
SCHEMBL8815829 0.73 HSD11B1 (0.33) ALDH1A1TSHRHSD17B10TDP1

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
US-4906736-A Copper complex formazan compounds containing a phenylaminotriazinylamino group with a fiber-reactive group of the vinylsulfone series and an alkyl amino substituent in the phenyl moiety suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 — — US disclosed
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