SCHEMBL8887568

SCHEMBL8887568

COc1c(N)cc(NC(C)=O)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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 0.81 ENPP2 (0.49) ENPP2TDP1PHLPP2LMNAMAPT
SCHEMBL10394559 0.80 ENPP2 (0.48) ENPP2TDP1PHLPP2LMNACA1
SCHEMBL28977413 0.78 MAPT (0.51) TDP1LMNASMN1; SMN2MAPTPKM
SCHEMBL30360235 0.78 MAPT (0.51) TDP1LMNASMN1; SMN2MAPTPKM
SCHEMBL10482234 0.76 ALDH1A1 (0.42) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL66550 0.75 ENPP2 (0.60) ENPP2TDP1CDK1PHLPP2SMN1; SMN2
SCHEMBL1755227 0.75 ENPP2 (0.56) ENPP2TDP1CDK1PHLPP2SMN1; SMN2
SCHEMBL11655370 0.75 CASR (0.34) ENPP2LMNASMN1; SMN2PKMKMT2A
SCHEMBL11289339 0.74 ALDH1A1 (0.41) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL9358421 0.74 ALDH1A1 (0.45) ENPP2TDP1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654410-A LIGHTFASTNESS, OXIDATION RESISTANCE CLARIANT FINANCE (BVI) LIMITED (VG) 1997-08-05 — — US disclosed
US-5386015-A Fiber-reactive dyes SANDOZ LTD. (CH) 1995-01-31 — — US disclosed
EP-0365486-A2 Fibre-reactive azo dyes SANDOZ AG (CH) 1990-04-25 — — EP disclosed
US-4128544-A DYES FOR NATURAL OR REGENERATED CELLULOSE SANDOZ LTD. (CH) 1978-12-05 — — US disclosed
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