SCHEMBL8794348

SCHEMBL8794348

Nc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cc2c1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.74
RXFP1 Q9HBX9 2/20 0.56
PRNP P04156 1/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
AURKA O14965 1/20 0.55
KDR P35968 1/20 0.55
AURKB Q96GD4 1/20 0.55
PTGFR P43088 3/20 0.53

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
SCHEMBL9503660 0.86 DHODH (0.78) DHODHRXFP1PRNPPPARGNR2E3
SCHEMBL8792419 0.85 DHODH (1.00) DHODH
SCHEMBL8794237 0.85 DHODH (0.74) DHODH
SCHEMBL8792384 0.85 DHODH (0.72) DHODHPTGFR
SCHEMBL8792622 0.84 DHODH (0.72) DHODH
SCHEMBL8794239 0.84 DHODH (0.79) DHODH
SCHEMBL8793893 0.84 DHODH (0.67) DHODHAURKAKDRAURKB
SCHEMBL18075840 0.83 DHODH (0.78) DHODHRXFP1PRNPPPARGNR2E3
SCHEMBL22919495 0.83 LMNA (0.70) DHODHRXFP1PRNPPPARGNR2E3
SCHEMBL17594085 0.82 DHODH (0.64) DHODHRXFP1PRNPPPARGNR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP claimed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP claimed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed