SCHEMBL7368441

SCHEMBL7368441

Cc1cccnc1NC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.69
MAPT P10636 1/20 0.69
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
KDM4E B2RXH2 4/20 0.62
HTT P42858 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL29376441 0.85 RAB9A (0.81) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL1558713 0.85 RAB9A (0.70) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL28703760 0.85 RAB9A (0.81) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL30421156 0.83 RAB9A (0.65) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL5629538 0.83 RAB9A (0.65) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL5629535 0.81 RAB9A (0.62) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL4659012 0.81 L3MBTL1 (0.69) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL2779146 0.81 MAPT (1.00) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL19781767 0.81 RAB9A (0.69) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL19522245 0.80 RAB9A (0.61) L3MBTL1MAPTRAB9ANPC1KDM4E

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 5 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
WO-1998042656-A1 NOVEL COMPOUNDS CYTEL CORPORATION (US) 1998-10-01 WO 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