SCHEMBL1718567

SCHEMBL1718567

O=C(NCCCN1CCOCC1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 6/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 2/20 0.52
ESR1 P03372 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
GAA P10253 4/20 0.51
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 2/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 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
SCHEMBL1717837 0.91 KMT2A (0.65) KMT2AMEN1KDM4ELMNARAB9A
SCHEMBL1718565 0.87 MAPK1 (0.69) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL1718522 0.86 KMT2A (0.67) KMT2AMEN1KDM4ELMNARAB9A
SCHEMBL1719737 0.86 GAA (0.61) KDM4ELMNAALDH1A1NPSR1MAPK1
SCHEMBL1719260 0.83 KDM4E (0.69) KDM4ELMNARAB9AALDH1A1NPSR1
SCHEMBL1720017 0.83 MAPK1 (0.78) KMT2AMEN1KDM4ELMNARAB9A
SCHEMBL1718992 0.82 USP2 (0.69) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL1718397 0.82 USP2 (0.74) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL1717881 0.82 KMT2A (0.61) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL1718370 0.81 USP2 (0.59) KMT2AMEN1KDM4EALDH1A1NPSR1

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 1 patent. 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 disclosed