SCHEMBL11137446

SCHEMBL11137446

Nc1ccc(-n2[nH]c(C(=O)O)cc2=O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 15/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ SENP3 Q9H4L4 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ SENP1 Q9P0U3 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
SCHEMBL5162317 0.80 ALKBH5 (0.46) ALKBH5HSD17B10ALDH1A1
SCHEMBL7890140 0.79 ALKBH5 (0.52) ALKBH5HSD17B10ALDH1A1
SCHEMBL1939982 0.78 ALKBH5 (0.46) ALKBH5HSD17B10ALDH1A1
SCHEMBL10413159 0.77 ALKBH5 (0.50) ALKBH5HSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL1266657 0.77 ALKBH5 (0.51) ALKBH5HSD17B10ALDH1A1
SCHEMBL7890932 0.76 ALKBH5 (0.49) ALKBH5ALDH1A1
SCHEMBL8176870 0.76 ALKBH5 (0.45) ALKBH5ALDH1A1
SCHEMBL11141365 0.76 ALKBH5 (0.47) ALKBH5
SCHEMBL67421 0.74 ALKBH5 (0.66) ALKBH5CYP2C19ALDH1A1
SCHEMBL7830050 0.74 ALKBH5 (0.45) ALKBH5HSD17B10ALDH1A1CASP6

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-4378312-A CONTAINING 1,3,5-TRIAZINE RING(S); WILL FORM COMPLEX WITH COPPER, COBALT OR CHROMIUM HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-29 — — US disclosed
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