SCHEMBL8437290

SCHEMBL8437290

Cc1c(F)c(F)c([N+](=O)[O-])c(C(=O)CC(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
IMPDH2 P12268 4/20 0.35
TAS1R3 Q7RTX0 9/20 0.34
TAS1R1 Q7RTX1 9/20 0.34
TAS1R2 Q8TE23 9/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
WDR5 P61964 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL9687755 0.87 HTT (0.32) SMN1; SMN2
SCHEMBL4671913 0.82 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4678354 0.82 L3MBTL1 (0.39) ALDH1A1MAPTCASP7CASP6TAS1R3
SCHEMBL9238743 0.81 SMN1; SMN2 (0.34) ALDH1A1MAPTCASP7CASP6TAS1R3
SCHEMBL4671550 0.77 TAS1R3 (0.32) ALDH1A1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL8439321 0.75 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL28241389 0.75 L3MBTL1 (0.39) ALDH1A1MAPTCASP7CASP6TAS1R3
SCHEMBL8887354 0.74 TAS1R3 (0.40) MAPTTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL17468410 0.73 TDP1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL9087991 0.73 L3MBTL1 (0.40) ALDH1A1IMPDH2SMN1; SMN2POLB

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
US-5859026-A ADMINISTERING AS AN ANTIBACTERIAL AGENT HOKURIKU SEIYAKU CO., LTD. (JP) 1999-01-12 US disclosed
EP-0806421-A1 QUINOLINECARBOXYLIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 1997-11-12 EP disclosed
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed