SCHEMBL1719003

SCHEMBL1719003

O=C(Nc1cc(Cl)ccc1O)c1nn2c(C(F)(F)F)cc(-c3cc(Br)cs3)nc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
THRB P10828 2/20 0.47
ESR1 P03372 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 4/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 1/20 0.39

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
SCHEMBL1718494 0.90 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1718390 0.89 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1717989 0.88 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1719188 0.87 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1719731 0.85 RXFP1 (0.61) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1718687 0.85 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1719289 0.83 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1718391 0.82 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1718385 0.81 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1719256 0.80 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1POLB

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