SCHEMBL1718480

SCHEMBL1718480

O=C(NCc1ccccn1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.63
HPGD P15428 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 4/20 0.53
POLB P06746 3/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
BAP1 Q92560 1/20 0.53
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
THRB P10828 4/20 0.51
RXFP1 Q9HBX9 2/20 0.50

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
SCHEMBL1717957 0.88 TTR (0.70) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718361 0.84 ALDH1A1 (0.74) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718460 0.83 ALDH1A1 (0.75) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718769 0.82 TTR (0.68) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718850 0.82 TTR (0.76) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718692 0.78 HPGD (0.67) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718676 0.78 TTR (1.00) TTRHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1718312 0.77 HPGD (0.60) HPGDSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL1719054 0.77 TTR (0.68) TTRHPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1718451 0.77 HPGD (0.69) HPGDSMN1; SMN2TP53ALDH1A1KDM4E

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