SCHEMBL7806232

SCHEMBL7806232

Cc1cc(C)nc(N2CCCC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PDE10A Q9Y233 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TYK2 P29597 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
CRHR1 P34998 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL20689399 0.85 L3MBTL1 (0.49) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL21227307 0.82 TYK2 (0.47) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL20688023 0.81 TYK2 (0.53) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL30557539 0.80 L3MBTL1 (0.44) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL21258494 0.78 TYK2 (0.46) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL20153301 0.77 RECQL (0.60) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL10275026 0.75 CCR1 (0.50) L3MBTL1HSD17B10LMNAGAACYP3A4
SCHEMBL12051490 0.73 L3MBTL1 (0.46) L3MBTL1ADORA2AADORA1PDE10AHSD17B10
SCHEMBL9645210 0.73 ALOX5 (0.51)
SCHEMBL4809458 0.73 LMNA (0.58) L3MBTL1HSD17B10LMNAGAACYP1A2

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-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed