SCHEMBL9505300

SCHEMBL9505300

O=C(O)Oc1c(O)c(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 10/20 0.41
DHODH Q02127 4/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C8 P10632 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C19 P33261 1/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
FABP3 P05413 1/20 0.34

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
SCHEMBL9503665 0.81 DHODH (0.55) KMODHODHCYP2C9CYP3A4CYP2C8
SCHEMBL8794771 0.78 PTGFR (0.39) DHODHMEN1KMT2ACYP2C9CYP3A4
SCHEMBL8794207 0.77 PTGFR (0.45) DHODHMEN1KMT2ACYP2C9CYP3A4
SCHEMBL18075851 0.75 PTGFR (0.53) DHODHMEN1KMT2ACYP2C9FABP4
SCHEMBL10581093 0.71 DHODH (0.67) DHODHCYP2C9CYP3A4CYP2C8CYP1A2
SCHEMBL9502225 0.70 DHODH (0.62) DHODHCYP2C9CYP3A4CYP2C8CYP1A2
SCHEMBL10583621 0.68 DHODH (0.57) DHODHCYP2C9CYP3A4CYP2C8CYP1A2
SCHEMBL18222148 0.68 TSPO (0.37) KMOMEN1KMT2ACYP2C9FABP4
SCHEMBL18222180 0.66 FABP4 (0.58) DHODHMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6226362 0.65 AHR (0.52) KMOMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP claimed