SCHEMBL9124172

SCHEMBL9124172

O=[N+]([O-])c1c[nH]c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.45
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
VCAM1 P19320 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5250855 0.74 ALDH1A1 (0.44) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL1774516 0.73
SCHEMBL14267778 0.70 GPR35 (0.40) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL20568749 0.69 MAPT (0.40) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL14672458 0.69 TDP1 (0.59) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL3975806 0.68 KDM4E (0.39) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL1516544 0.68 TSHR (0.47) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL31661340 0.68 KDM4E (0.43) GPR35TDP1TSHRALDH1A1CYP3A4
SCHEMBL9483533 0.68 ALDH1A1 (0.46) TDP1TSHRALDH1A1HPGDKDM4E
SCHEMBL28391943 0.67 TDP1 (0.81) GPR35TDP1TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57067557-A None JP disclosed
JP-58124765-A None JP disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-0372263-B1 Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID CO (US) 1995-02-15 EP disclosed
US-5204332-A PYRROLE CARBONITRILE AND NITROPYRROLE INSECTICIDAL AND ACARICIDAL AND MOLLUSCICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-04-20 US disclosed
US-5162308-A Pyrrole carbonitrile and nitropyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1992-11-10 US disclosed
EP-0372263-A2 Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-06-13 EP disclosed
EP-0080051-B1 HETEROCYCLIC COMPOUNDS AND ANTIBACTERIAL AND ANTIFUNGAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS MEIJI SEIKA KAISHA LTD. (JP) 1986-02-05 EP disclosed
US-4563472-A BACTERICIDES, FUNGICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1986-01-07 US disclosed
JP-S58124765-A PYRROLE DERIVATIVE, ITS PREPARATION, AND ANTIFUNGAL CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 1983-07-25 JP disclosed
EP-0080051-A2 Heterocyclic compounds and antibacterial and antifungal compositions containing the same as active ingredients MEIJI SEIKA KAISHA LTD. (JP) 1983-06-01 EP disclosed
JP-S5767557-A PRODUCTION OF SF-2080A SUBSTANCE AND ANTIMYCOTIC CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 1982-04-24 JP disclosed