SCHEMBL114014

SCHEMBL114014

NC(=O)COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 3/20 0.70
KMT2A Q03164 3/20 0.68
HTT P42858 2/20 0.68
MEN1 O00255 1/20 0.68
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
GBA1 P04062 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL29166987 0.88 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL1613946 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL19716283 0.84 RAB9A (0.70) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL28057744 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL1146176 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL10402616 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL922764 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL3298308 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL27950196 0.83 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL6680400 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AHTTMEN1

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 3945 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-4277636-A1 MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2023-11-22 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
WO-2022155418-A9 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-03-09 WO claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
WO-2022155418-A1 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2022-07-21 WO 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-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP 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
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN claimed