SCHEMBL10825025

SCHEMBL10825025

CC(=O)Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ CDK1 P06493 1/20 0.46
▸ TTR P02766 1/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ TNNT2 P45379 1/20 0.44
▸ TNNC1 P63316 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL28335505 0.94 ENPP2 (0.50) ENPP2ALDH1A1CDK1TTRTNNI3
SCHEMBL1755227 0.83 ENPP2 (0.56) ENPP2ALDH1A1CDK1PHLPP2PKM
SCHEMBL66550 0.83 ENPP2 (0.60) ENPP2ALDH1A1CDK1PHLPP2PKM
SCHEMBL7050762 0.82 ENPP2 (0.55) ENPP2ALDH1A1CDK1PHLPP2PKM
Water SCHEMBL26111069 0.82 ENPP2 (0.55) ENPP2ALDH1A1CDK1PHLPP2PKM
SCHEMBL8589578 0.82 ENPP2 (0.46) ENPP2ALDH1A1CDK1TTRTNNI3
SCHEMBL11290527 0.81 ENPP2 (0.55) ENPP2ALDH1A1CDK1PHLPP2PKM
Nitrogen SCHEMBL28780887 0.81 ENPP2 (0.54) ENPP2ALDH1A1CDK1PHLPP2PKM
SCHEMBL10825017 0.80 HTT (0.52) ENPP2ALDH1A1TDP1
SCHEMBL17779172 0.79 ENPP2 (0.49) ENPP2ALDH1A1CDK1PHLPP2PKM

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
EP-0116884-B1 NITRO-NAPHTHYLAMINE SULPHONIC ACIDS BAYER AG (DE) 1986-04-09 — — EP disclosed
EP-0116884-A1 Nitro-naphthylamine sulphonic acids BAYER AG (DE) 1984-08-29 — — EP disclosed
Send feedback