SCHEMBL1719685

SCHEMBL1719685

COc1ccc(CN)cc1.O=C(O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 6/20 0.62
APOBEC3A P31941 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1718047 0.89 RXFP1 (0.59) RXFP1POLBMAPTAPOBEC3ACTDSP1
SCHEMBL1717917 0.85 RXFP1 (0.72) RXFP1POLBMAPTAPOBEC3AALDH1A1
SCHEMBL3282802 0.85 RXFP1 (0.69) RXFP1POLBMAPTAPOBEC3ACTDSP1
SCHEMBL1719687 0.84 RXFP1 (0.67) RXFP1POLBMAPTALDH1A1HSD17B10
SCHEMBL1718496 0.82 RXFP1 (0.75) RXFP1POLBMAPTALDH1A1HSD17B10
SCHEMBL3704786 0.79 RXFP1 (0.67) RXFP1POLBMAPTAPOBEC3ACTDSP1
SCHEMBL5658010 0.78 RXFP1 (0.59) RXFP1POLBMAPTAPOBEC3ACTDSP1
SCHEMBL1719266 0.77 MAPT (0.78) RXFP1POLBMAPTALDH1A1HSD17B10
SCHEMBL3060904 0.77 RXFP1 (0.67) RXFP1POLBMAPTAPOBEC3ACTDSP1
SCHEMBL1718356 0.77 ALDH1A1 (0.74) RXFP1POLBMAPTALDH1A1HSD17B10

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-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed