SCHEMBL10477333

SCHEMBL10477333

Cc1cn(C(c2ccc(F)cc2)c2ccc3[nH]c(NC(=O)O)nc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP19A1 P11511 1/20 0.36
STAT1 P42224 1/20 0.36
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
CYP26A1 O43174 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL10477318 0.84 CYP19A1 (0.55) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10477335 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
Hydrochloric Acid SCHEMBL10515148 0.83 CYP19A1 (0.54) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10477334 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10477356 0.80 CYP19A1 (0.43) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL9398517 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL8954579 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4ETP53
Hydrochloric Acid SCHEMBL8954696 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4ETP53
Hydrochloric Acid SCHEMBL9399211 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4ETP53
Bromide SCHEMBL10477473 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4ETP53

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-0328203-A2 [5(6) (1H-azole-1-ylmethyl)benzimidazole] carbamates JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-16 EP disclosed
US-4826862-A Anthelminthic [(5(6) (1H-azole-1-ylmethyl)benzimidazole]carbamates JANSSEN PHARMACEUTICA, N.V. (BE) 1989-05-02 US disclosed