SCHEMBL7439040

SCHEMBL7439040

Cc1cccc(N2C=NC(=O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HSP90AA1 P07900 1/20 0.46
MGLL Q99685 1/20 0.46
ALOX5 P09917 4/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB1 P08588 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
APLNR P35414 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27686292 0.79 FGFR1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL9862074 0.78 NPC1 (0.55) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL11852089 0.70 L3MBTL1 (0.49) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL10551505 0.70 L3MBTL1 (0.49) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL796999 0.67 L3MBTL1 (0.41) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
Iodide SCHEMBL27085269 0.67 L3MBTL1 (0.41) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL9855189 0.67 L3MBTL1 (0.53) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL16004434 0.66 HSP90AA1 (0.59) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL259385 0.66 L3MBTL1 (1.00) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1
SCHEMBL30287907 0.66 L3MBTL1 (0.51) L3MBTL1HSP90AA1MGLLALOX5ALDH1A1

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-2001092257-A1 OXO-IMIDAZOPYRIMIDINE-CARBOXAMIDES AND THEIR USE AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-12-06 WO claimed