SCHEMBL1718358

SCHEMBL1718358

Cc1ccc(O)c(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Br)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 4/20 0.60
ESR1 P03372 1/20 0.60
POLB P06746 1/20 0.60
BLM P54132 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 4/20 0.49
TP53 P04637 1/20 0.49
SDHB P21912 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 1/20 0.47
APOBEC3A P31941 1/20 0.45

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
SCHEMBL1718390 0.90 KMT2A (0.60) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1718515 0.90 KMT2A (0.57) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1718494 0.89 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1719381 0.86 RXFP1 (0.64) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL1718402 0.85 ALDH1A1 (0.67) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1717679 0.85 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1718896 0.85 ALDH1A1 (0.64) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1718998 0.85 ALDH1A1 (0.62) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1719448 0.83 ALDH1A1 (0.66) KMT2AALDH1A1MEN1MAPTESR1
SCHEMBL1718107 0.83 ALDH1A1 (0.62) KMT2AALDH1A1MEN1MAPTESR1

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