SCHEMBL9765847

SCHEMBL9765847

N#Cc1cc(C(F)(F)F)cnc1-n1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
LCAT P04180 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
SCN10A Q9Y5Y9 5/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9730727 0.83 KDM5B (0.35) GAAALDH1A1KDM4EESR2KDM5B
SCHEMBL9765875 0.80 ALDH1A1 (0.36) GAASMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL9765814 0.80 ALDH1A1 (0.49) GAASMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL9581996 0.80 HCAR1 (0.40) ESR2
SCHEMBL9581479 0.79 ESR2 (0.32) GAAESR2CYP11B1CYP11B2KDM5B
SCHEMBL9582286 0.78 GABRA2 (0.38) GAASMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL9582173 0.78 DDR1 (0.32) ESR2KDM5BALPLALPI
SCHEMBL9765906 0.76 ALDH1A1 (0.39) GAASMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL9730834 0.74 ESR2 (0.33) GAASMN1; SMN2TDP1ESR2KDM5B
SCHEMBL9581956 0.74 TDP1 (0.38) GAASMN1; SMN2TDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990512-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-05 US disclosed
EP-0357201-A2 Pyridyl pyrimidinone derivatives with an insecticidal activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-07 EP disclosed