SCHEMBL4079943

SCHEMBL4079943

O=C(O)c1cn(-c2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
RORC P51449 8/20 0.54
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHRM1 P11229 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
NR4A2 P43354 1/20 0.49

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
SCHEMBL30309390 1.00 LMNA (0.55) LMNARORCCYP2C9CYP1A2CYP3A4
SCHEMBL5100563 0.90 KDM4E (0.61) LMNARORCCYP2C9CYP1A2CYP3A4
SCHEMBL30309433 0.90 KDM4E (0.61) LMNARORCCYP2C9CYP1A2CYP3A4
SCHEMBL29004492 0.86 KDM4E (0.54) LMNARORCCYP2C9CYP1A2CYP3A4
SCHEMBL3977198 0.86 CAPN1 (0.56) LMNAKDM4E
SCHEMBL10445864 0.86 LMNA (0.66) LMNARORCCYP2C9CYP1A2CHRM1
SCHEMBL30309418 0.86 KDM4E (0.54) LMNARORCCYP2C9CYP1A2CYP3A4
SCHEMBL30309505 0.86 LMNA (0.66) LMNARORCCYP2C9CYP1A2CHRM1
SCHEMBL10475559 0.84 MAPK8 (0.58)
SCHEMBL30309396 0.84 RORC (0.59) LMNARORCCYP2C9CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784987-A Compound related to pneumonia, preparation method and application thereof, and pharmaceutical composition 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 CN claimed
CN-115784987-A Compound related to pneumonia, preparation method and application thereof, and pharmaceutical composition 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 CN disclosed
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed