SCHEMBL3725844

SCHEMBL3725844

NC(c1ccc2ccccc2c1)c1ccc2[nH]nnc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.37
SLC6A2 P23975 9/20 0.34
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 9/20 0.34
KCNH2 Q12809 7/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 5/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
AOC3 Q16853 2/20 0.33
CHEK2 O96017 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MLKL Q8NB16 1/20 0.32

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
SCHEMBL3742081 0.81 ALDH1A1 (0.35) ADRA2AADRA2BADRA2C
SCHEMBL10359867 0.77 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL242516 0.74 EIF4A3 (0.39) MEN1KMT2AKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL3932764 0.73 ADRB2 (0.34)
SCHEMBL1747397 0.71 NQO2 (0.44) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL1319777 0.71 SLC6A2 (0.51) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Aminodiphenylmethane SCHEMBL28288817 0.71 DPP4 (0.35) CYP3A4CYP2D6AOC3MEN1KMT2A
SCHEMBL9867893 0.71 PRMT5 (0.39) CHEK2KDM4EMLKL
SCHEMBL23680086 0.71
SCHEMBL30462995 0.71 KIF11 (0.37)

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-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 EP disclosed
EP-1272827-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2003-01-08 EP disclosed
WO-2001077650-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2001-10-18 WO disclosed