SCHEMBL10834286

SCHEMBL10834286

O=C(c1ccc(Cl)cc1)c1ncc[nH]1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
KMT2A Q03164 3/20 0.57
BRAF P15056 3/20 0.49
HDAC1 Q13547 2/20 0.49
HTT P42858 2/20 0.46
SRD5A2 P31213 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP19A1 P11511 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL6420193 0.82 NPC1 (1.00) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL3473764 0.82 RAB9A (0.70) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL653633 0.82 NPC1 (0.70) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL653441 0.81 RAB9A (0.69) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL29836846 0.81 NPC1 (0.68) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL111544 0.80 KMT2A (0.55) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL925484 0.79 NPC1 (0.66) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL28838982 0.79 RAB9A (0.66) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL7847490 0.78 NPC1 (0.55) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL6747205 0.78 NPC1 (0.69) NPC1RAB9AKMT2ABRAFHDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4610997-A Fungicidal N-acylimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-09 US disclosed
EP-0141619-A2 N-Acylimidazoles and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-15 EP disclosed
US-4493842-A Fungicidal N-(phenyl-lower alkanoyl-)-imidazole derivatives, composition, and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0095285-A1 N-acylimidazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-30 EP disclosed