SCHEMBL9501979

SCHEMBL9501979

O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 1.00
PDE10A Q9Y233 4/20 0.94
LMNA P02545 2/20 0.67
TSHR P16473 1/20 0.65
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.55

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
Oxycinchophen SCHEMBL1170683 0.97 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
Oxycinchophen SCHEMBL31654029 0.97 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
Oxycinchophen SCHEMBL29460357 0.97 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL9502018 0.89 DHODH (0.81) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL9505280 0.89 DHODH (0.81) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL9501955 0.89 DHODH (0.81) DHODHPDE10ALMNACYP2D6CYP2C19
SCHEMBL10583488 0.87 DHODH (1.00) DHODHPDE10ALMNATSHR
SCHEMBL10581516 0.87 DHODH (0.76) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL4601632 0.84 DHODH (0.77) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL13971502 0.84 DHODH (0.77) DHODHPDE10ALMNATSHRCYP2D6

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 3 patents. 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 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