SCHEMBL8801004

SCHEMBL8801004

Cc1cc(C)n2nc(Cl)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.61
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 6/20 0.50
HPGD P15428 2/20 0.49
HCRTR1 O43613 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5270607 0.81 PIK3CG (0.68) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL17351841 0.81 NPC1 (0.41) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL14211725 0.76 NPC1 (0.47) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL10002464 0.76 PIK3CG (1.00) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL16104177 0.76 PIK3CG (0.61) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL8822880 0.76 PIK3CG (0.61) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL9517885 0.74 PIK3CG (0.59) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL14131248 0.74 PIK3CG (0.59) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL7829970 0.74 NPC1 (0.59) PIK3CGNPC1RAB9AKDM4EALDH1A1
SCHEMBL15807120 0.73 PIK3CG (0.58) PIK3CGNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 EP disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed