SCHEMBL3405891

SCHEMBL3405891

Oc1ccc2cccc3c2c1C=CC3O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
APP P05067 1/20 0.36
ALOX15 P16050 1/20 0.36
SNCA P37840 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9278445 0.84 CDK2 (0.37) CDK2MEN1GAAKMT2AALDH1A1
SCHEMBL14857101 0.79 MEN1 (0.33) CDK2MEN1GAAKMT2AALDH1A1
SCHEMBL7784914 0.77 ALDH1A1 (0.35) CDK2MEN1GAAKMT2AALDH1A1
SCHEMBL14856930 0.74 CDK2 (0.33) CDK2MEN1GAAKMT2AALDH1A1
SCHEMBL345742 0.74 ALDH1A1 (0.33) MEN1GAAKMT2AALDH1A1CYP1A2
Water SCHEMBL28147865 0.73 ALDH1A1 (0.32) MEN1GAAKMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9663743 0.73 ALDH1A1 (0.32) MEN1GAAKMT2AALDH1A1CYP1A2
Phenol SCHEMBL28853126 0.70 CA12 (0.35) MEN1GAAKMT2AALDH1A1CYP1A2
SCHEMBL23855440 0.69 MEN1 (0.42) CDK2MEN1GAAKMT2AALDH1A1
SCHEMBL119916 0.68 CDK2 (0.41) CDK2MEN1GAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718758-B2 Mixtures of poly(1,4-dihydroxy)-phenylenes (polyhydroquinones) Zagorsky, Andrey (RU) 2010-05-18 US claimed
US-20080275207-A1 Mixtures of Poly(1,4-Dihydroxy)-Phenylenes (Polyhydroquinones) ZAGORSKY, ANDREY (RU) 2008-11-06 US claimed
EP-1966271-A1 MIXTURES OF POLY(1,4-DIHYDROXY)-PHENYLENES (POLYHYDROQUINONES) Zagorsky, Andrey Leonidovich (RU) 2008-09-10 EP claimed
WO-2007073236-A1 MIXTURES OF POLY(1,4-DIHYDROXY)-PHENYLENES (POLYHYDROQUINONES) ZAGORSKY ANDREY LEONIDOVICH (RU) 2007-06-28 WO claimed
CN-101103077-B Anthrapyridone compound, magenta ink composition and colored matter NIPPON KAYAKU KK 2011-04-06 CN disclosed
US-7718758-B2 Mixtures of poly(1,4-dihydroxy)-phenylenes (polyhydroquinones) Zagorsky, Andrey (RU) 2010-05-18 US disclosed
US-7718758-B2 Mixtures of poly(1,4-dihydroxy)-phenylenes (polyhydroquinones) Zagorsky, Andrey (RU) 2010-05-18 US disclosed
US-20080275207-A1 Mixtures of Poly(1,4-Dihydroxy)-Phenylenes (Polyhydroquinones) ZAGORSKY, ANDREY (RU) 2008-11-06 US disclosed
EP-1966271-A1 MIXTURES OF POLY(1,4-DIHYDROXY)-PHENYLENES (POLYHYDROQUINONES) Zagorsky, Andrey Leonidovich (RU) 2008-09-10 EP disclosed
CN-101103077-A Anthrapyridone compound, magenta ink composition and colored matter NIPPON KAYAKU KK (JP) 2008-01-09 CN disclosed
WO-2007073236-A1 MIXTURES OF POLY(1,4-DIHYDROXY)-PHENYLENES (POLYHYDROQUINONES) ZAGORSKY ANDREY LEONIDOVICH (RU) 2007-06-28 WO disclosed
CN-1303161-C Novel anthrapyridone compounds, water-base magenta ink compositions, and ink-jet recording process NIPPON KAYAKU KK (JP) 2007-03-07 CN disclosed
CN-1558933-A Anthrapyridone compound, water-based magenta ink composition, and ink-jet recording method 日本化药株式会社 2004-12-29 CN disclosed