SCHEMBL3220419

SCHEMBL3220419

Cc1c(C)c(-c2ccc(N)cc2)c(C)c(C)c1N.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ACHE P22303 4/20 0.42
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
KDR P35968 1/20 0.36
APP P05067 1/20 0.36
KEAP1 Q14145 1/20 0.33
TEAD4 Q15561 1/20 0.33
RPS6KA3 P51812 1/20 0.33
KIF11 P52732 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9668 0.98 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TP53ACHE
Hydrochloric Acid SCHEMBL526311 0.95 TDP1 (0.46) CYP3A4TDP1ALDH1A1TP53ACHE
Hydrochloric Acid SCHEMBL154619 0.95 TDP1 (0.46) CYP3A4TDP1ALDH1A1TP53ACHE
Methane SCHEMBL27984388 0.95 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TP53ACHE
Benzidine SCHEMBL10765881 0.95 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1TP53ACHE
Benzidine SCHEMBL28067545 0.95 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1TP53ACHE
Water SCHEMBL29271586 0.95 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1TP53ACHE
Hydrochloric Acid SCHEMBL9474749 0.93 TDP1 (0.43) CYP3A4TDP1ALDH1A1TP53ACHE
Hydrogen Peroxide SCHEMBL1424968 0.93 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1TP53ACHE
Hydrochloric Acid SCHEMBL29212969 0.93 TDP1 (0.43) CYP3A4TDP1ALDH1A1TP53ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101558296-B Method for measuring 1,5-anhydroglucitol in whole blood, and sensor chip and measurement kit to be used in the method NIPPON KAYAKU KK 2013-12-11 CN disclosed
US-8465940-B2 Method for electrochemically measuring 1,5-anhydroglucitol in whole blood NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-20100062469-A1 METHOD OF MEASURING 1,5-ANHYDROGLUCITOL IN WHOLE BLOOD, AND SENSOR CHIP AND MEASUREMENT KIT TO BE USED IN THE METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-11 US disclosed
CN-101565740-A Method of detecting mild impaired glucose tolerance or insulin hyposecretion ASAHI KASEI PHARMA CORP (JP) 2009-10-28 CN disclosed
CN-101558296-A Method for measuring 1,5-anhydroglucitol in whole blood, and sensor chip and measurement kit to be used in the method NIPPON KAYAKU KK (JP) 2009-10-14 CN disclosed
CN-100526473-C Method for detecting mild impaired glucose tolerance or insulin secretion defects ASAHI CHEMICAL IND (JP) 2009-08-12 CN disclosed
CN-1650025-A Method for detecting mild impaired glucose tolerance or insulin secretion defects ASAHI CHEMICAL IND (JP) 2005-08-03 CN disclosed