SCHEMBL8792908

SCHEMBL8792908

O=CN/C(=C/c1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.41
NT5E P21589 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8744893 0.71 ALDH1A1 (0.34) L3MBTL1ALDH1A1POLB
SCHEMBL8744885 0.71 ALDH1A1 (0.44) MAPK1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL5698524 0.70 AKR1C3 (0.49) MAPK1SMN1; SMN2KMT2ANT5EL3MBTL1
SCHEMBL5698531 0.70 AKR1C3 (0.49) MAPK1SMN1; SMN2KMT2ANT5EL3MBTL1
SCHEMBL9510821 0.69 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2KMT2ANT5EMEN1
SCHEMBL9510815 0.69 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2KMT2ANT5EMEN1
SCHEMBL4098980 0.67 AKR1C3 (0.46) MAPK1SMN1; SMN2KMT2ANT5EMEN1
SCHEMBL14855270 0.66 ALDH1A1 (0.61) MAPK1SMN1; SMN2L3MBTL1PTGS2ALDH1A1
Formic Acid SCHEMBL27456543 0.65 KMT2A (0.47) MAPK1SMN1; SMN2KMT2ANT5EMEN1
SCHEMBL12443129 0.65 SMN1; SMN2 (0.89) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1

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-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 EP disclosed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 WO disclosed