SCHEMBL1718975

SCHEMBL1718975

O=C(NCCN1CCOCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPSR1 Q6W5P4 4/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.54
BLM P54132 2/20 0.54
ESR1 P03372 1/20 0.54
KDM4E B2RXH2 6/20 0.54
HPGD P15428 4/20 0.50
ALOX15 P16050 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
TDP1 Q9NUW8 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
SCHEMBL1718369 0.86 RXFP1 (0.59) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1719380 0.86 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1718522 0.85 KMT2A (0.67) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL3714389 0.84 KDM4E (0.72) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1718497 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1717837 0.80 KMT2A (0.65) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1718942 0.80 MAPT (0.64) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1719355 0.80 ALDH1A1 (0.98) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL4210744 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL1718304 0.79 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ANPSR1MAPT

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 disclosed