Sugi Predict

Sugi Predict / Compounds / SCHEMBL4748802

SCHEMBL4748802

SCHEMBL4748802

NNc1ncc([N+](=O)[O-])s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ATG4B Q9Y4P1 5/20 0.50
▸ STAT3 P40763 4/20 0.50
▸ PKM P14618 3/20 0.50
▸ POLB P06746 1/20 0.48
▸ CDK2 P24941 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ HIPK4 Q8NE63 1/20 0.47

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
SCHEMBL13461165 0.81 NPC1 (0.54) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL1896161 0.79 NPC1 (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
Forminitrazole SCHEMBL1643044 0.78 ATG4B (0.50) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL17076650 0.78 ATG4B (0.51) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL7193648 0.77 ATG4B (0.52) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL13433885 0.77 ALDH1A1 (0.50) ALDH1A1HPGDALOX15NPC1RAB9A
Nithiamide SCHEMBL158858 0.75 NPC1 (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14270440 0.75 ATG4B (0.48) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL1804664 0.74 MEN1 (0.68) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL375929 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104861690-B Method used for preparing disperse blue 360 江苏道博化工有限公司 2017-02-08 — — CN claimed
CN-104861690-A Method used for preparing disperse blue 360 JIANGSU DAOBO CHEMICAL CO LTD 2015-08-26 — — CN claimed
WO-2025022007-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 — — WO disclosed
CN-104861690-B Method used for preparing disperse blue 360 江苏道博化工有限公司 2017-02-08 — — CN disclosed
CN-104861690-B Method used for preparing disperse blue 360 江苏道博化工有限公司 2017-02-08 — — CN disclosed
WO-2015123992-A1 METHOD FOR PREPARING DISPERSE BLUE 360 江苏道博化工有限公司 2015-08-27 — — WO disclosed
WO-2015123992-A1 METHOD FOR PREPARING DISPERSE BLUE 360 江苏道博化工有限公司 2015-08-27 — — WO disclosed
CN-104861690-A Method used for preparing disperse blue 360 JIANGSU DAOBO CHEMICAL CO LTD 2015-08-26 — — CN disclosed
CN-104861690-A Method used for preparing disperse blue 360 JIANGSU DAOBO CHEMICAL CO LTD 2015-08-26 — — CN disclosed
EP-2408770-B1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS Univ Virginia Patent Found (US) 2014-11-05 — — EP disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 — — WO disclosed
EP-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 — — EP disclosed
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US disclosed
EP-0457184-A2 Naphthol derivatives, method for their preparation and use therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP disclosed