SCHEMBL9750118

SCHEMBL9750118

O=C(Nc1ccccn1)Nc1ccccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.81
RAB9A P51151 10/20 0.81
ADORA3 P0DMS8 1/20 0.81
PIM1 P11309 1/20 0.81
ADORA2A P29274 1/20 0.81
ADORA2B P29275 1/20 0.81
ADORA1 P30542 1/20 0.81
FLT3 P36888 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
PIM3 Q86V86 1/20 0.81
AURKB Q96GD4 1/20 0.81
PKM P14618 2/20 0.76
LMNA P02545 2/20 0.76
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.69
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65

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
SCHEMBL9317689 0.90 RAB9A (1.00) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL18469876 0.88 RAB9A (0.66) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL8665367 0.88 RAB9A (0.66) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL11279908 0.88 RAB9A (0.66) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL30565139 0.86 RAB9A (1.00) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL29940946 0.85 RAB9A (0.62) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL29128678 0.85 RAB9A (0.66) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL519066 0.84 RAB9A (0.73) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL3078691 0.84 RAB9A (0.73) NPC1RAB9AADORA3PIM1ADORA2A
SCHEMBL17079598 0.84 NPC1 (1.00) NPC1RAB9AADORA3PIM1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096978-A Butadiene polymers having improved scorch delay and fast cure rates; tires; treads MONSANTO COMPANY (US) 1992-03-17 US claimed
EP-0364428-A1 Vulcanizable synthetic rubber compositions cure-activated by substituted ureas Monsanto Company (US) 1990-04-18 EP claimed
CN-119874670-A Method for synthesizing macrolide antibiotic telithromycin side chain compound 江苏海洋大学 2025-04-25 CN disclosed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed
CN-114213286-B Synthetic method of urea derivative 湖北文理学院 2022-12-30 CN disclosed
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
US-5096978-A Butadiene polymers having improved scorch delay and fast cure rates; tires; treads MONSANTO COMPANY (US) 1992-03-17 US disclosed
EP-0364428-A1 Vulcanizable synthetic rubber compositions cure-activated by substituted ureas Monsanto Company (US) 1990-04-18 EP disclosed