SCHEMBL28536613

SCHEMBL28536613

Cc1nn(Cc2c(Cl)ccc(C(=O)c3c(C)nn(C)c3O)c2Cl)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC22A12 Q96S37 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30677838 0.85
SCHEMBL28550946 0.81 RORC (0.38) RORCALDH1A1GAAMEN1KMT2A
SCHEMBL28538647 0.81 RORC (0.38) RORCALDH1A1GAAKMT2ASLC22A12
SCHEMBL22945928 0.81 CNR1 (0.36) RORCKDM4EALDH1A1MAPTMEN1
SCHEMBL22946153 0.80 RORC (0.43) RORCALDH1A1MEN1KMT2ALMNA
SCHEMBL22946323 0.78 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL22946159 0.78 GAA (0.35) RORCALDH1A1GAALMNASMN1; SMN2
SCHEMBL28547145 0.77 RORC (0.36) RORC
SCHEMBL22945898 0.77 KMT2A (0.38) RORCKDM4EALDH1A1MAPTMEN1
SCHEMBL10680900 0.75 MAPT (0.36) KDM4EALDH1A1MAPTMEN1KMT2A

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-112430220-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2023-12-08 CN disclosed
CN-112430220-A Substituted benzoyl compound and application thereof 东莞市东阳光农药研发有限公司 2021-03-02 CN disclosed