SCHEMBL9767165

SCHEMBL9767165

Nc1cccc(C(=O)Nc2ccc(N)cc2N)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
HSD17B10 Q99714 1/20 0.74
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
HDAC1 Q13547 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4C Q9H3R0 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
PTGS1 P23219 4/20 0.52
RAB9A P51151 1/20 0.50
PBRM1 Q86U86 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
SCHEMBL11591501 0.88 HDAC1 (0.71) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL8522632 0.87 HDAC1 (0.72) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL9173739 0.86 MAPT (0.65) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL17744840 0.84 SMN1; SMN2 (0.71) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL301367 0.84 MAPT (0.77) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL14088959 0.82 HDAC1 (0.74) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL17744830 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL16444873 0.81 HDAC1 (0.69) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL29513264 0.81 HDAC1 (0.69) SMN1; SMN2NPSR1HSD17B10MAPTMEN1
SCHEMBL13428037 0.80 HDAC1 (0.72) GAAHDAC1CYP2C9HDAC3HDAC2

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
JP-3002170-A None JP disclosed
JP-H032170-A PRODUCTION OF DIAMINO(PHENYL BENZISMIDAZOLE) TEIJIN LTD 1991-01-08 JP disclosed