SCHEMBL10394559

SCHEMBL10394559

CC(=O)Nc1cc(N)c(C)c(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CASR P41180 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5677351 0.85 ENPP2 (0.49) ENPP2ALDH1A1LMNAPHLPP2PKM
SCHEMBL8887568 0.80 ENPP2 (0.45) ENPP2ALDH1A1LMNACASRPHLPP2
SCHEMBL11658021 0.80 KMT2A (0.51) LMNACYP2C19GAACA12CA1
SCHEMBL66550 0.79 ENPP2 (0.60) ENPP2ALDH1A1PHLPP2PKMCYP2C19
SCHEMBL1755227 0.79 ENPP2 (0.56) ENPP2ALDH1A1PHLPP2PKMCYP2C19
SCHEMBL5300918 0.78 LMNA (0.48) ALDH1A1LMNAPKMCYP2C19TDP1
SCHEMBL8153748 0.77 ENPP2 (0.48) ENPP2ALDH1A1LMNAPHLPP2PKM
SCHEMBL7050762 0.77 ENPP2 (0.55) ENPP2ALDH1A1PHLPP2PKMCYP2C19
Water SCHEMBL26111069 0.77 ENPP2 (0.55) ENPP2ALDH1A1PHLPP2PKMCYP2C19
SCHEMBL11290527 0.77 ENPP2 (0.55) ENPP2ALDH1A1PHLPP2PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 — — US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 — — US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 — — EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 — — EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 — — US disclosed
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