SCHEMBL2707925

SCHEMBL2707925

O=C1c2ccccc2C(=O)N1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ TDP2 O95551 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
SCHEMBL31288119 0.85 DPP4 (0.40) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL1961000 0.81 KMT2A (0.41) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL9125334 0.81 CASP1 (0.41) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL8730348 0.81 MEN1 (0.41) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL28793231 0.81 ERCC1 (0.57) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL9342906 0.79 CASP1 (0.40) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL9190585 0.79 POLB (0.46) POLBCASP3CYP1A2EHMT2EHMT1
SCHEMBL30286815 0.76 CES1 (0.52) GAACES2BCHEMAOACES1
SCHEMBL9549241 0.76 CASP1 (0.38) POLBCASP1CASP3CYP1A2EHMT2
SCHEMBL4446476 0.76 CES1 (0.52) GAACES2BCHEMAOACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637928-B1 Photoresist monomer having spiro cyclic ketal group, polymer thereof and photoresist composition including the same DONGJIN SEMICHEM CO LTD (KR) 2012-05-02 — — EP claimed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 — — EP disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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