SCHEMBL1718015

SCHEMBL1718015

O=C(NCc1cccs1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 2/20 0.55
ESR1 P03372 1/20 0.55
BLM P54132 1/20 0.55
PTGES O14684 1/20 0.52
MAPK1 P28482 1/20 0.52
RXFP1 Q9HBX9 2/20 0.50
USP2 O75604 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL1719136 0.86 MAPT (0.66) MAPTGAAALDH1A1NPSR1HPGD
SCHEMBL1719141 0.86 MAPT (0.64) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL1719456 0.85 RXFP1 (0.69) MAPTALDH1A1NPSR1HPGDCYP1A2
SCHEMBL1719048 0.85 ALDH1A1 (0.81) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL12239908 0.85 KDM4E (0.67) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL1718678 0.84 MAPT (0.64) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL1718372 0.82 MAPT (0.61) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL1718667 0.81 MAPT (0.67) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL1718178 0.81 ALDH1A1 (0.80) MAPTGAAL3MBTL1ALDH1A1NPSR1
SCHEMBL1718595 0.81 ALDH1A1 (0.72) MAPTGAAL3MBTL1ALDH1A1NPSR1

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