SCHEMBL4849110

SCHEMBL4849110

Cc1cc(=O)n(-c2ccc(N)cc2)n1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.68
BCHE P06276 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36
ADRA2C P18825 1/20 0.36
GFER P55789 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL5052007 0.85 NAPRT (0.72) NAPRTALDH1A1RAB9ANPC1TSHR
SCHEMBL23907015 0.82 NAPRT (0.64) NAPRTALDH1A1RAB9ANPC1KMT2A
SCHEMBL11005335 0.81 NAPRT (0.68) NAPRTBCHEALDH1A1RAB9ANPC1
SCHEMBL4322796 0.81 NAPRT (0.68) NAPRTALDH1A1RAB9AMAPTKMT2A
SCHEMBL3531406 0.81 NAPRT (0.68) NAPRTRAB9ATSHRKMT2AKDM4E
Antipyrine SCHEMBL28245052 0.81 NAPRT (0.93) NAPRTBCHEPTGS2ALDH1A1RAB9A
Antipyrine SCHEMBL20452 0.81 NAPRT (1.00) NAPRTBCHEPTGS2ALDH1A1TSHR
Antipyrine SCHEMBL28311969 0.80 NAPRT (0.89) NAPRTBCHEPTGS2ALDH1A1RAB9A
Antipyrine SCHEMBL8736656 0.79 NAPRT (0.96) NAPRTBCHEPTGS2ALDH1A1TSHR
Antipyrine SCHEMBL8995343 0.79 NAPRT (0.96) NAPRTBCHEPTGS2ALDH1A1TSHR

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-7374902-B2 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS (US) 2008-05-20 US disclosed
US-7374897-B2 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS (US) 2008-05-20 US disclosed
US-20060084132-A1 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS 2006-04-20 US disclosed
US-20060084133-A1 Enzyme cycling based assays for alpha-methylacyl-CoA racemase GENERAL ATOMICS 2006-04-20 US disclosed