SCHEMBL4373201

SCHEMBL4373201

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.65
MAPT P10636 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RAB9A P51151 2/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
MYOC Q99972 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SRD5A2 P31213 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
ENPP2 Q13822 1/20 0.49
KDM4E B2RXH2 1/20 0.46
KIF11 P52732 1/20 0.46
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL439543 0.88 CA1 (0.60) MAPTNPSR1RAB9AALDH1A1CA1
Dinitrophenylene SCHEMBL27323145 0.86 LMNA (0.55) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL9719384 0.86 HSPB1 (0.61) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL8109093 0.85 MEN1 (0.78) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL14678190 0.85 MAPT (0.51) HSPB1MAPTNPSR1RAB9AMEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL11689190 0.84 HSPB1 (0.79) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL9183872 0.84 HSPB1 (0.79) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL2011179 0.84 HSPB1 (0.79) HSPB1MAPTNPSR1RAB9AMEN1
SCHEMBL30334516 0.84 ALDH1A1 (0.54) HSPB1MAPTNPSR1RAB9AMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626865-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2025-10-08 EP disclosed
CN-118852135-A N-acyl sulfonamide compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-10-29 CN disclosed
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
US-5290756-A Herbicides ROHM AND HAAS COMPANY (US) 1994-03-01 US disclosed
US-5290756-A Herbicides ROHM AND HAAS COMPANY (US) 1994-03-01 US disclosed
US-4913729-A POSTEMERGENCE OR PREEMERGENCE ROHM AND HAAS COMPANY (US) 1990-04-03 US disclosed
US-4877897-A HERBICIDES ROHM AND HAAS COMPANY (US) 1989-10-31 US disclosed
US-4877897-A HERBICIDES ROHM AND HAAS COMPANY (US) 1989-10-31 US disclosed
EP-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP disclosed
US-4468247-A Herbicidal 4-[3'-(4\"-trifluoromethyl-phenoxy)-phenoxy]-4-methyl-crotonates CHEVRON RESEARCH COMPANY (US) 1984-08-28 US disclosed
US-4414017-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1983-11-08 US disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 EP disclosed
US-4350522-A Herbicidal 4-trifluoromethyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1982-09-21 US disclosed
US-4185995-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-01-29 US disclosed
US-4104313-A BERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4104313-A BERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4104313-A BERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4063929-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 US disclosed