SCHEMBL28549005

SCHEMBL28549005

Cc1cc(Oc2c(Cl)c(C(=O)Cl)cc(C)c2S(C)(=O)=O)n(C)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
NMT1 P30419 1/20 0.30
ACLY P53396 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28550673 0.91 ACLY (0.36) MEN1KMT2AHPGDNMT1ACLY
SCHEMBL29253906 0.70
SCHEMBL28442729 0.69 SCN9A (0.38) MEN1KMT2AHPGDCYP1A2CYP2C9
SCHEMBL28549004 0.68 RORC (0.31) MEN1KMT2AHPGD
SCHEMBL27500566 0.64 TSHR (0.34) MEN1KMT2AHPGD
SCHEMBL28388499 0.63 KMT2A (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28520623 0.63 KMT2A (0.33) MEN1KMT2A
SCHEMBL28468577 0.62 SMN1; SMN2 (0.36) MEN1KMT2ACYP1A2
SCHEMBL22859531 0.62 TSHR (0.35) MEN1KMT2AACLY
SCHEMBL27299142 0.61 RORC (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689626-B Substituted benzoyl-pyrazole compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2022-08-12 CN disclosed
CN-112689626-A Substituted benzoyl-pyrazole compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed