SCHEMBL8548872

SCHEMBL8548872

N#Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
P2RY1 P47900 1/20 0.42
CTSS P25774 2/20 0.42
KIF11 P52732 1/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NTRK1 P04629 2/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SCN9A Q15858 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL8546808 0.93 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8552758 0.93 KIF11 (0.42) CTSSKIF11NTRK1CTSKTRPV1
SCHEMBL8552730 0.92 POLB (0.41) POLBCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8471818 0.92 PSD (0.41) POLBCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8549675 0.91 ADORA1 (0.46) CTSSKIF11CTSKTRPV1LOXL2
SCHEMBL8547908 0.89 POLB (0.41) POLBCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8550852 0.89 KIF11 (0.39) CTSSKIF11NTRK1CTSKTRPV1
SCHEMBL8773215 0.87 CYP1A2 (0.50) POLBCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8552573 0.87 TRPV1 (0.37) CTSSKIF11NTRK1CTSKTRPV1
SCHEMBL8551508 0.85 TRPV1 (0.36) CTSSKIF11NTRK1CTSKTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820996-A1 Herbicidal cyanopyridines American Cyanamid Company (US) 1998-01-28 EP disclosed