SCHEMBL12912965

SCHEMBL12912965

c1ccc(-c2c[nH]c(-c3ccc(-c4scc(-c5ccccc5)c4-c4ccccc4)c4cnccc34)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.39
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
NFATC1 O95644 1/20 0.39
CYP17A1 P05093 2/20 0.39
CYP1A2 P05177 2/20 0.39
IMPDH2 P12268 2/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNF P01375 1/20 0.36
PIM1 P11309 2/20 0.35
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
LYN P07948 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL12912909 0.89 CYP17A1 (0.46) HASPINGSK3BDYRK1ANFATC1CYP17A1
SCHEMBL12912930 0.87 HASPIN (0.48) HASPINGSK3BDYRK1ANFATC1IMPDH2
SCHEMBL12912946 0.80 CKS1B (0.36) DYRK1ACYP17A1CYP1A2IMPDH2MAPK1
SCHEMBL12912938 0.76 CYP2A6 (0.35) CYP17A1CYP1A2IMPDH2PARP1MEN1
SCHEMBL12912936 0.76 PARP1 (0.38) HASPINCYP17A1CYP1A2IMPDH2MAPK1
SCHEMBL12912964 0.75 PDPK1 (0.35) HASPINGSK3BDYRK1AIMPDH2MAPK1
SCHEMBL12912944 0.74 DYRK1A (0.36) DYRK1AIMPDH2RAB9ASMN1; SMN2AXL
SCHEMBL12912933 0.74 IMPDH2 (0.38) GSK3BIMPDH2PIM1AURKACDK1
SCHEMBL12912955 0.72 NPC1 (0.32) IMPDH2RAB9A
SCHEMBL12912945 0.71 IMPDH2 (0.33) CYP1A2IMPDH2MAPK1HSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed