SCHEMBL10519082

SCHEMBL10519082

CCOC(=O)c1c[nH]c2c(F)c(Br)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
CLEC4M Q9H2X3 1/20 0.55
GABRA1 P14867 3/20 0.55
GABRB2 P47870 3/20 0.55
GABRB1 P18505 2/20 0.55
GABRA3 P34903 2/20 0.55
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STAT3 P40763 1/20 0.41

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
SCHEMBL9635290 0.90 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL29376920 0.90 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL11235716 0.88 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL10618700 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL7517643 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL30540821 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL19971590 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL15999499 0.82 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL13368169 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1
SCHEMBL1345017 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CLEC4MGABRA1

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-0184384-B1 SUBSTITUTED DIHYDROQUINOLONE CARBOXYLIC ACIDS, ANTI-BACTERIAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1989-08-02 EP disclosed
US-4623650-A BACTERICIDES PFIZER INC. (US) 1986-11-18 US disclosed
EP-0184384-A1 Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them PFIZER INC. (US) 1986-06-11 EP disclosed