SCHEMBL27653744

SCHEMBL27653744

CNc1ccc(C(=O)C(Cl)NC)c(NC)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ AVPR2 P30518 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PYGL P06737 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31152563 0.78 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAAVPR2
SCHEMBL143496 0.78 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAAVPR2
SCHEMBL29400790 0.75 KDM4C (0.50) KDM4EALDH1A1
SCHEMBL4209812 0.75 KDM4C (0.50) KDM4EALDH1A1
SCHEMBL21751026 0.73 KDM4E (0.59) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL5158155 0.70 MAPT (0.49) KDM4EALDH1A1GAAHTTCYP3A4
SCHEMBL11427799 0.70 POLB (0.37) KDM4EALDH1A1GLAGAAHTT
SCHEMBL9722926 0.69 IKBKB (0.39) KDM4EALDH1A1GLAGAAHTT
SCHEMBL28057743 0.68 CA12 (0.49) KDM4EALDH1A1HTTTP53HPGD
SCHEMBL709947 0.64 HSD17B10 (0.47) KDM4EALDH1A1POLBALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100569726-C The synthesis technique of mesitylene carboxylic acid CNPC JINZHOU PETROCHEMICAL COR (CN) 2009-12-16 — — CN claimed
CN-1927800-A Synthesis process of 2,4,6-trimethyl benzoic acid JINZHOU PETROCHEMICAL CORP CNP (CN) 2007-03-14 — — CN claimed
CN-102491894-A Preparation method of 2,4,6-trimethylbenzoic acid TAIAN BOYANG CHEMICAL TECHNOLOGY CO LTD 2012-06-13 — — CN disclosed
CN-100569726-C The synthesis technique of mesitylene carboxylic acid CNPC JINZHOU PETROCHEMICAL COR (CN) 2009-12-16 — — CN disclosed
CN-100569726-C The synthesis technique of mesitylene carboxylic acid CNPC JINZHOU PETROCHEMICAL COR (CN) 2009-12-16 — — CN disclosed
CN-1927800-A Synthesis process of 2,4,6-trimethyl benzoic acid JINZHOU PETROCHEMICAL CORP CNP (CN) 2007-03-14 — — CN disclosed
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