SCHEMBL1719619

SCHEMBL1719619

O=C(NCc1ccc(Cl)cc1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 3/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 2/20 0.52
MYC P01106 1/20 0.52
MAX P61244 1/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.51
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.49
BAP1 Q92560 1/20 0.49
RAB9A P51151 1/20 0.49
TTR P02766 1/20 0.48

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
SCHEMBL1718549 0.91 HPGD (0.62) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1719119 0.89 HPGD (0.67) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718359 0.88 ALDH1A1 (0.63) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1719861 0.88 MAPT (0.63) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718476 0.88 MAPT (0.62) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718451 0.87 HPGD (0.69) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718692 0.87 HPGD (0.67) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1720222 0.83 THRB (0.77) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1720003 0.83 THRB (0.72) THRBHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1720131 0.83 ALDH1A1 (0.75) HPGDSMN1; SMN2TP53ALDH1A1HSD17B10

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