SCHEMBL9119626

SCHEMBL9119626

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 4/20 0.39
GRIN2D O15399 11/20 0.39
GRIN3B O60391 11/20 0.39
GRIN1 Q05586 11/20 0.39
GRIN2A Q12879 11/20 0.39
GRIN2B Q13224 11/20 0.39
GRIN2C Q14957 11/20 0.39
GRIN3A Q8TCU5 11/20 0.39

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
SCHEMBL8872383 0.76 KDM4E (0.42) TSHRKDM4EMAPTTDP1BLM
SCHEMBL9015233 0.72 TSHR (0.36) TSHRKDM4EMAPTTDP1BLM
SCHEMBL10710731 0.72 TSHR (0.65) TSHRMAPTTDP1ALDH1A1GRIN2D
SCHEMBL3476651 0.72 TSHR (0.65) TSHRMAPTTDP1ALDH1A1GRIN2D
SCHEMBL9337605 0.71 MAPT (0.38) TSHRKDM4EMAPTTDP1ALDH1A1
SCHEMBL9221192 0.71 HCRTR1 (0.43) TSHRKDM4EMAPTTDP1ALDH1A1
SCHEMBL14608804 0.70 MEN1 (0.47) MAPTALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4706746 0.69 TSHR (0.55) TSHRMAPTTDP1ALDH1A1GRIN2D
Pentachloronitrobenzene SCHEMBL69247 0.69 TSHR (0.62) TSHRMAPTTDP1ALDH1A1GRIN2D
SCHEMBL9222727 0.68 HCRTR1 (0.50) TSHRKDM4EMAPTTDP1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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