SCHEMBL1719372

SCHEMBL1719372

O=C(NCC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.77
MEN1 O00255 4/20 0.77
ALDH1A1 P00352 11/20 0.57
KDM4E B2RXH2 10/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 2/20 0.54
ESR1 P03372 1/20 0.54
BLM P54132 1/20 0.54
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.46
HPGD P15428 7/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4211110 0.90 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1717794 0.87 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718334 0.87 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718393 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719114 0.82 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719319 0.82 KDM4E (0.70) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1719435 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL4217010 0.81 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1718403 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1718528 0.80 KMT2A (0.63) KMT2AMEN1ALDH1A1KDM4ELMNA

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