SCHEMBL9502225

SCHEMBL9502225

O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.62
CYP2C9 P11712 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C8 P10632 2/20 0.62
PDE10A Q9Y233 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C19 P33261 1/20 0.54
FABP4 P15090 2/20 0.52
FABP5 Q01469 2/20 0.52
FABP3 P05413 1/20 0.52
SELPLG Q14242 1/20 0.50
PTGFR P43088 1/20 0.50

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
SCHEMBL10581093 0.93 DHODH (0.67) DHODHCYP2C9CYP3A4CYP2C8PDE10A
SCHEMBL10583621 0.90 DHODH (0.57) DHODHCYP2C9CYP3A4CYP2C8PDE10A
SCHEMBL9503665 0.88 DHODH (0.55) DHODHCYP2C9CYP3A4CYP2C8CYP1A2
SCHEMBL8792771 0.87 DHODH (0.56) DHODHCYP2C9CYP3A4CYP2C8FABP4
SCHEMBL18075849 0.84 DHODH (0.70) DHODHCYP2C9PDE10AFABP4FABP5
SCHEMBL8793696 0.80 DHODH (0.51) DHODHCYP2C9CYP3A4CYP2C8CYP1A2
SCHEMBL9501979 0.76 DHODH (1.00) DHODHCYP2C9CYP3A4CYP2C8PDE10A
SCHEMBL1292111 0.75 DHODH (0.72) DHODHCYP2C9CYP3A4CYP2C8PDE10A
SCHEMBL9501955 0.75 DHODH (0.81) DHODHCYP2C9CYP3A4CYP2C8PDE10A
SCHEMBL9502241 0.75 DHODH (0.82) DHODHCYP2C9CYP3A4CYP2C8PDE10A

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
US-4847381-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US claimed
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP disclosed
US-4847381-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed