SCHEMBL5983370

SCHEMBL5983370

Nc1ccc(-c2ccc(N)c(N)c2N)cc1.Nc1ccc(-c2ccc(N)c(N)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
APP P05067 1/20 0.37
TDP2 O95551 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KIF11 P52732 1/20 0.34
PRKCZ Q05513 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL21373 1.00 TDP1 (0.48) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL992776 0.98 CYP3A4 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
SCHEMBL3507048 0.98 TDP1 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL999548 0.98 CYP3A4 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
SCHEMBL4339278 0.98 TDP1 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
Water SCHEMBL7066183 0.98 TDP1 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL134929 0.98 CYP3A4 (0.46) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hydrogen Peroxide SCHEMBL843774 0.95 CYP3A4 (0.43) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL3504243 0.95 ALDH1A1 (0.43) TDP1CYP3A4ALDH1A1TP53HSD17B10
Hypochlorous Acid SCHEMBL3965623 0.93 CYP3A4 (0.42) TDP1CYP3A4ALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108283722-B Application of SPECC1L in preparation of medicines for treating liver cancer and/or preventing liver cancer recurrence after operation 中南大学湘雅医院 2019-11-12 CN disclosed
CN-108624590-A It is a kind of inhibit DDR2 expression siRNA and its application 西安医学院 2018-10-09 CN disclosed
CN-108283722-A Application of SPECC 1L in preparation of medicines for treating liver cancer and/or preventing liver cancer recurrence after operation 中南大学湘雅医院 2018-07-17 CN disclosed
CN-103613669-B Polypeptide for inhibiting cell proliferation and inducing apoptosis, preparation method and application thereof 华中科技大学同济医学院附属同济医院 2016-08-17 CN disclosed
CN-104873556-A Application of composition of astragalus polysaccharides and panax notoginseng saponins in preparing medicines for treating diabetic nephropathies UNIV HUNAN CHINESE MEDICINE 2015-09-02 CN disclosed
CN-103613669-A Polypeptide for inhibiting cell proliferation and inducing apoptosis, preparation method and application thereof AFFILIATED TONGJI HOSPITAL OF TONGJI MEDICAL COLLEGE OF HUAZHONG UNIV SCI & TECH 2014-03-05 CN disclosed
EP-1642131-A1 STANDARD Dako Denmark A/S (DK) 2006-04-05 EP disclosed
WO-2005003773-A1 STANDARD DAKOCYTOMATION DENMARK A/S (DK) 2005-01-13 WO disclosed