SCHEMBL6939719

SCHEMBL6939719

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.61
POLB P06746 1/20 0.60
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ADORA3 P0DMS8 1/20 0.58
PIM1 P11309 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
FLT3 P36888 1/20 0.58
PIM3 Q86V86 1/20 0.58
AURKB Q96GD4 1/20 0.58
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL6939715 0.85 NPC1 (0.61) KDRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6939392 0.84 MEN1 (0.79) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6938002 0.82 MEN1 (0.66) KDRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6943770 0.79 KMT2A (0.65) KDRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14537874 0.79 LMNA (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24008310 0.78 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ADORA3PIM1
SCHEMBL6941464 0.78 MEN1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6936821 0.78 MEN1 (0.68) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6943802 0.78 MEN1 (0.68) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6942228 0.78 MEN1 (0.59) KDRPOLBNPC1RAB9ASMN1; SMN2

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-1042278-B1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA AS (SK) 2003-03-05 EP disclosed
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US disclosed