SCHEMBL1718002

SCHEMBL1718002

O=C(Nc1ccc(Br)cc1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 6/20 0.65
MEN1 O00255 4/20 0.65
MAPT P10636 3/20 0.65
POLB P06746 2/20 0.65
ESR1 P03372 1/20 0.65
BLM P54132 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 3/20 0.53
KDM4E B2RXH2 7/20 0.51
GAA P10253 3/20 0.51
TP53 P04637 2/20 0.50
APOBEC3A P31941 1/20 0.49
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1719448 0.94 ALDH1A1 (0.66) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718447 0.93 ALDH1A1 (0.63) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718710 0.93 ALDH1A1 (0.65) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1719290 0.91 ALDH1A1 (0.62) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718748 0.90 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1719959 0.90 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1719214 0.89 ALDH1A1 (0.62) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718741 0.89 MAPT (0.68) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1719964 0.88 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718853 0.88 KMT2A (0.62) KMT2AALDH1A1MEN1MAPTPOLB

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