SCHEMBL11115964

SCHEMBL11115964

Cc1ccccc1NC(=O)Nc1cnccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
NPC1 O15118 4/20 0.71
KDM4E B2RXH2 9/20 0.70
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CHEK1 O14757 2/20 0.61
PRKD3 O94806 2/20 0.61
MAP4K4 O95819 2/20 0.61
PIM1 P11309 2/20 0.61
CDK8 P49336 2/20 0.61
CLK2 P49760 2/20 0.61
GSK3A P49840 2/20 0.61
GSK3B P49841 2/20 0.61
LIMK1 P53667 2/20 0.61
CDK5 Q00535 2/20 0.61
DYRK1A Q13627 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61

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
SCHEMBL14517926 0.84 PRKD3 (0.75) RAB9ANPC1KDM4EHTTHSD17B10
SCHEMBL17079598 0.83 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2041885 0.83 KDM4E (0.67) RAB9ANPC1KDM4EHTTHSD17B10
SCHEMBL5377213 0.82 KDM4E (1.00) RAB9ANPC1KDM4EHTTHSD17B10
SCHEMBL5375281 0.81 KDM4E (0.72) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL5381046 0.80 KDM4E (0.69) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL3798485 0.80 GSK3B (0.74) RAB9ANPC1KDM4EHTTHSD17B10
SCHEMBL3800344 0.80 GSK3A (0.74) RAB9ANPC1KDM4EHTTHSD17B10
SCHEMBL1275926 0.79 RAB9A (0.75) RAB9ANPC1HTTHSD17B10MEN1
SCHEMBL14517928 0.78 RAB9A (0.72) RAB9ANPC1KDM4EMEN1KMT2A

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
EP-0124154-A2 Aniline compositions, their preparation, compositions containing them, and method of combating fungus and/or combating or regulating plant growth SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-11-07 EP disclosed