SCHEMBL117983

SCHEMBL117983

O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
GPR35 Q9HC97 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLC18A3 Q16572 1/20 0.49

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
SCHEMBL29600832 1.00 HSP90AA1 (0.61) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL11718645 0.92 HSP90AA1 (0.53) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL4969468 0.83 HSP90AA1 (0.49) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL6903614 0.78 HSP90AA1 (0.69) HSP90AA1GPR35ALDH1A1HPGDMAPK1
SCHEMBL11745878 0.77 HSP90AA1 (0.50) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL5470372 0.76 HPGD (0.54) HSP90AA1MEN1KMT2AALDH1A1HPGD
SCHEMBL29411694 0.76 KMT2A (0.49) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL824145 0.76 GPR35 (0.56) HSP90AA1GPR35MEN1KMT2AALDH1A1
SCHEMBL11341964 0.76 HSP90AA1 (1.00) HSP90AA1GPR35MEN1KMT2AALDH1A1
Dinitro Cresol SCHEMBL8657737 0.76 GPR35 (0.73) HSP90AA1GPR35MEN1KMT2AALDH1A1

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 4624 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
WO-2025244856-A1 METHODS AND COMPOSITIONS RELATING TO ELQ COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-11-27 WO claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-12471599-B2 Agricultural compositions comprising remodeled nitrogen fixing microbes PIVOT BIO, INC. (US) 2025-11-18 US claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-4627920-A1 BINARY INSECTICIDE COMPOSITION AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2025-10-08 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
US-20250185667-A1 AGRICULTURAL COMPOSITIONS COMPRISING REMODELED NITROGEN FIXING MICROBES HSBC BANK USA, N.A. 2025-06-12 US claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20250143298-A1 PEST MANAGEMENT BIO-GENE TECHNOLOGY LIMITED (AU) 2025-05-08 US claimed
EP-1703792-A1 PESTICIDALLY ACTIVE COMBINATIONS Syngenta Participations AG (CH) 2006-09-27 EP claimed
WO-2006037632-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006037633-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006037634-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006015865-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-02-16 WO claimed
WO-2005053407-A1 PESTICIDALLY ACTIVE COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2005-06-16 WO claimed
WO-2004082382-A1 SYNERGISTIC HERBICIDAL COMPOSITION COMPRISING A HERBICIDALLY ACTIVE COMPOUND IN COMBINATION WITH AN INSECTICIDE SYNGENTA PARTICIPATIONS AG (CH) 2004-09-30 WO claimed
US-20030198659-A1 Fibrous pest control CORNELL RESEARCH FOUNDATION, INC. 2003-10-23 US claimed
US-6436421-B1 Pesticide compositions ?ROHM AND HAAS COMPANY 2002-08-20 US claimed
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO claimed