SCHEMBL13134232

SCHEMBL13134232

C=C(C)c1c2ccccc2nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 3/20 0.46
MAOA P21397 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
DRD1 P21728 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL10629564 0.81 IDO1 (0.36) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12220557 0.78 HSD17B10 (0.62) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL9596977 0.77 KDM4E (0.45) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL22224161 0.76 ALDH1A1 (0.64) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2818996 0.75 PDE10A (0.49) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL28086026 0.74 PDE10A (0.43) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL20495005 0.74 NCF1 (0.43) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL29377848 0.73 PDE10A (0.66) PDE10AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5705498 0.73 KDM4E (0.50) PDE10APOLBKDM4EALDH1A1HSD17B10
SCHEMBL641899 0.73 PDE10A (0.66) PDE10AKDM4EALDH1A1HSD17B10HPGD

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-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed