SCHEMBL1717837

SCHEMBL1717837

O=C(NCCCN1CCOCC1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 5/20 0.65
NPSR1 Q6W5P4 2/20 0.65
ESR1 P03372 1/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.65
BLM P54132 1/20 0.65
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RXFP1 Q9HBX9 2/20 0.51
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TSHR P16473 1/20 0.48
ERCC1 P07992 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
SCHEMBL1718522 0.95 KMT2A (0.67) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1718567 0.91 KMT2A (0.65) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1717876 0.85 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1718708 0.84 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1719260 0.83 KDM4E (0.69) ALDH1A1NPSR1POLBMAPTKDM4E
SCHEMBL1718144 0.83 MAPT (0.64) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1717661 0.82 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1718178 0.82 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1719629 0.82 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1NPSR1ESR1
SCHEMBL1718368 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1NPSR1ESR1

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