SCHEMBL112492

SCHEMBL112492

NC(=O)OC(c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 6/20 0.49
TSHR P16473 1/20 0.48
PLAU P00749 1/20 0.40
CTSD P07339 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29529500 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPLAUCTSD
SCHEMBL3291004 0.85 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRMAPTMEN1
SCHEMBL6895354 0.85 ALDH1A1 (0.52) CYP1A2ALDH1A1TSHRMAPTKMT2A
SCHEMBL6894457 0.83 ALDH1A1 (0.50) CYP1A2ALDH1A1TSHRMAPTMEN1
SCHEMBL5583271 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRMAPTKDM4E
SCHEMBL6894341 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRCTSDMAPT
SCHEMBL384635 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRMEN1KMT2A
SCHEMBL1288150 0.79 MAPT (0.49) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL4361293 0.79 ALDH1A1 (0.55) CYP1A2ALDH1A1TSHRPLAUCTSD
SCHEMBL5490056 0.79 ALDH1A1 (0.51) CYP1A2ALDH1A1TSHRPLAUCTSD

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

Appears in 3428 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
US-10112957-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-10-30 US claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP claimed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 WO claimed
US-12637672-B2 Oligonucleotide compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2026-05-26 US disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed