SCHEMBL6507523

SCHEMBL6507523

O=C(Nc1nc2ccccc2[nH]1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.62
RAB9A P51151 11/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
PKM P14618 4/20 0.62
MAOB P27338 1/20 0.62
ADORA2A P29274 1/20 0.62
LMNA P02545 3/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.58
SCD O00767 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 3/20 0.54
ALOX12 P18054 1/20 0.54
GAA P10253 1/20 0.53
OPRK1 P41145 1/20 0.53
KLF5 Q13887 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL204726 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL23566380 0.79 NPC1 (0.75) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL6509202 0.79 POLB (0.52) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL3926899 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL707208 0.76 CYP3A4 (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL30968980 0.76 LMNA (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL12020635 0.76 LMNA (0.71) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL29776932 0.76 CYP3A4 (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL7788764 0.76 LMNA (0.71) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL1434166 0.76 LMNA (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB

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
WO-2018177857-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381907-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
WO-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed
WO-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed