SCHEMBL1718366

SCHEMBL1718366

CN(Cc1ccccc1)C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.57
KDM4E B2RXH2 10/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 4/20 0.54
HPGD P15428 6/20 0.51
GAA P10253 5/20 0.51
MAPT P10636 4/20 0.51
GLA P06280 2/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HTT P42858 3/20 0.48
APOBEC3A P31941 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 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
SCHEMBL1718562 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1718686 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL1718176 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL1719255 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL1717900 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1718568 0.83 KDM4E (0.65) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1718712 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL4204381 0.82 KDM4E (0.69) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL1718578 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL1719435 0.81 KMT2A (0.60) ALDH1A1KDM4EKMT2ALMNAMEN1

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