SCHEMBL8347394

SCHEMBL8347394

CSc1nc(-c2ccccc2F)[nH]c(=O)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
GAA P10253 3/20 0.61
MEN1 O00255 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 6/20 0.50
RXFP1 Q9HBX9 3/20 0.49
PPARG P37231 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
PRNP P04156 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GALR3 O60755 1/20 0.42
HIF1A Q16665 1/20 0.42
CXCR2 P25025 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL8380313 0.82 HPGD (0.65) KMT2AGAAMEN1HPGDLMNA
SCHEMBL4774542 0.81 HTT (0.44) KMT2AGAAMEN1HPGDLMNA
SCHEMBL214224 0.78 GAA (0.49) KMT2AGAAMEN1HPGDLMNA
SCHEMBL4774535 0.74 ALDH1A1 (0.43) KMT2AGAAMEN1HPGDALDH1A1
SCHEMBL10271853 0.74 GAA (0.70) KMT2AGAAMEN1HPGDLMNA
SCHEMBL8347159 0.72 ALDH1A1 (0.49) KMT2AGAAMEN1HPGDLMNA
SCHEMBL6445364 0.72 ADORA1 (0.65) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL213872 0.71 GAA (0.57) KMT2AGAAMEN1HPGDLMNA
SCHEMBL10466353 0.70 GAA (1.00) KMT2AGAAMEN1HPGDLMNA
SCHEMBL6440793 0.70 XDH (0.66) KMT2AGAAMEN1HPGDALDH1A1

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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed