SCHEMBL9502807

SCHEMBL9502807

CC(=O)Oc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.64
PDE10A Q9Y233 4/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 2/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
TACR3 P29371 3/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL5498214 0.97 PDE10A (0.62) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL9502242 0.86 DHODH (0.63) DHODHPOLB
SCHEMBL9501944 0.85 DHODH (0.59) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL9505833 0.84 DHODH (0.50) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL3959255 0.83 TACR3 (0.68) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL5496908 0.82 SMN1; SMN2 (0.56) DHODHPDE10ATSHRLMNATACR3
SCHEMBL27583476 0.79 PDE10A (0.60) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL9501979 0.77 DHODH (1.00) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL8792622 0.77 DHODH (0.72) DHODHPDE10ATSHRLMNACYP2D6
SCHEMBL4720452 0.76 TACR3 (0.82) TACR3

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 7 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 claimed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP claimed
JP-1110673-A None JP disclosed
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
JP-H01110673-A SUBSTITUTED 2-PHENYL-4-QUINOLINECARBOXYLIC ACID AMERICAN CYANAMID CO 1989-04-27 JP disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed