SCHEMBL5437685

SCHEMBL5437685

Cc1c(N)ccc(-c2ccc(N)cc2)c1C.[Na].[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.46
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
ACHE P22303 2/20 0.39
TSHR P16473 2/20 0.38
PIK3CA P42336 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DHFR P00374 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL820321 0.98 RPS6KA3 (0.47) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL5437684 0.96 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Methane SCHEMBL28199914 0.96 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Hydrochloric Acid SCHEMBL27683817 0.96 RPS6KA3 (0.46) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Acetonitrile SCHEMBL28247265 0.90 RPS6KA3 (0.42) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL8954051 0.89 CYP3A4 (0.53) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL29006686 0.87 ALDH1A1 (0.42) RPS6KA3CYP3A4TDP1ALDH1A1TP53
SCHEMBL31534012 0.87 RPS6KA3 (0.41) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Orthotolidine SCHEMBL29201186 0.87 ALDH1A1 (0.61) RPS6KA3CYP3A4TDP1ALDH1A1TP53
Sulfuric Acid SCHEMBL28301097 0.87 ALDH1A1 (0.42) RPS6KA3CYP3A4TDP1ALDH1A1TP53

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
CN-101042353-B Composition for measuring concentration of residual chlorine MIURA KOGYO K K 2010-05-26 CN disclosed
US-20070224691-A1 Composition for measuring concentration of residual chlorine MIURA CO., LTD. 2007-09-27 US disclosed
CN-101042353-A Composition for measuring concentration of residual chlorine MIURA KOGYO K K (JP) 2007-09-26 CN disclosed
CN-1940553-A Composition for measuring residual chlorine concentration MIURA KOGYO KK (JP) 2007-04-04 CN disclosed