SCHEMBL8730348

SCHEMBL8730348

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 3/20 0.39
▸ CES1 P23141 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ EHMT1 Q9H9B1 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ DNMT3L Q9UJW3 1/20 0.36
▸ DNMT3A Q9Y6K1 1/20 0.36

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
SCHEMBL1961000 0.86 KMT2A (0.41) MEN1KMT2ACASP1POLBCASP3
SCHEMBL2707925 0.81 POLB (0.43) MEN1KMT2ACASP1POLBCASP3
SCHEMBL5940982 0.81 MEN1 (0.43) MEN1KMT2APOLBCASP3CES1
SCHEMBL961338 0.78 DPP4 (0.38) MEN1KMT2ACASP1POLBCASP3
SCHEMBL9125334 0.77 CASP1 (0.41) MEN1KMT2ACASP1POLBCASP3
SCHEMBL31288119 0.77 DPP4 (0.40) MEN1KMT2ACASP1POLBCASP3
SCHEMBL9342906 0.76 CASP1 (0.40) MEN1KMT2ACASP1POLBCASP3
SCHEMBL9190585 0.75 POLB (0.46) MEN1KMT2APOLBCASP3CES1
SCHEMBL8813029 0.74 CASP3 (0.41) MEN1KMT2APOLBCASP3CES1
SCHEMBL121020 0.72 ALDH1A1 (0.41) MEN1KMT2ACASP1POLBCASP3

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-0569620-B1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEM CO (US) 1998-06-24 — — EP disclosed
EP-0569620-A1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-11-18 — — EP disclosed
US-5196590-A Heating a trihalophthalimide compound, water, mineral acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 — — US disclosed
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