SCHEMBL1718402

SCHEMBL1718402

O=C(Nc1ccccc1C(F)(F)F)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 4/20 0.67
MAPT P10636 4/20 0.67
ESR1 P03372 1/20 0.67
POLB P06746 1/20 0.67
BLM P54132 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
RXFP1 Q9HBX9 3/20 0.53
KDM4E B2RXH2 7/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 5/20 0.49
TAAR1 Q96RJ0 1/20 0.49
APOBEC3A P31941 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 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
SCHEMBL1718896 0.90 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718528 0.89 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1719448 0.89 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718998 0.89 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718107 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718710 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718002 0.86 KMT2A (0.65) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718203 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718385 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL1718390 0.85 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTESR1

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