SCHEMBL13680547

SCHEMBL13680547

Cc1cccc(-c2cccc(NC(N)=O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.61
HSD17B10 Q99714 1/20 0.56
CSF1R P07333 1/20 0.56
FLT1 P17948 1/20 0.56
FLT3 P36888 1/20 0.56
CYP1A2 P05177 1/20 0.54
KIF11 P52732 1/20 0.51
MGLL Q99685 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNH2 Q12809 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKT2 P31751 1/20 0.49
KDR P35968 1/20 0.49
DHODH Q02127 1/20 0.49
ITGB3 P05106 1/20 0.48

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
SCHEMBL166848 0.89 HSD17B10 (0.69) HSD17B10CYP1A2KCNK3KCNH2KCNK9
SCHEMBL13680497 0.88 KIF11 (0.69) CNR1CSF1RFLT1FLT3KIF11
SCHEMBL13749770 0.88 KIF11 (0.69) CNR1CSF1RFLT1FLT3KIF11
Hydrochloric Acid SCHEMBL8884354 0.87 HSD17B10 (0.67) HSD17B10CYP1A2KCNK3KCNH2KCNK9
Benzene SCHEMBL15881255 0.87 HSD17B10 (0.67) HSD17B10CYP1A2KCNK3KCNH2KCNK9
SCHEMBL13681314 0.86 CNR1 (0.65) CNR1HSD17B10CSF1RFLT1FLT3
SCHEMBL13680541 0.84 HSD17B10 (0.79) CNR1HSD17B10CYP1A2MGLLKCNK3
SCHEMBL30164935 0.84 MGLL (0.72) CNR1KIF11MGLL
SCHEMBL4082541 0.84 MGLL (0.72) CNR1KIF11MGLL
O-Xylene SCHEMBL11046097 0.83 HSD17B10 (0.61) HSD17B10CYP1A2KCNK3KCNH2KCNK9

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed