SCHEMBL8856342

SCHEMBL8856342

O=[N+]([O-])C(Br)C(Br)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.37
TSHR P16473 4/20 0.35
MAPK1 P28482 3/20 0.35
HIF1A Q16665 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPX4 P36969 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CNR1 P21554 2/20 0.33

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
SCHEMBL22559530 0.79 FBP1 (0.39) FBP1TSHRMAPK1HIF1ATDP1
SCHEMBL7931350 0.79 CYP1A2 (0.41) FBP1MAPK1HIF1ATDP1HPGD
SCHEMBL264810 0.71 ADRB2 (0.46) FBP1TSHRMAPK1HIF1ATDP1
SCHEMBL29013799 0.71 TSHR (0.46) TSHRMAPK1HIF1ATDP1HPGD
SCHEMBL1123827 0.68 BRD4 (0.46) FBP1TSHRMAPK1HIF1ATDP1
SCHEMBL7628173 0.67 ADRB2 (0.52) TSHRMAPK1HIF1ATDP1HPGD
SCHEMBL9341404 0.67 ALDH1A1 (0.39) FBP1TSHRMAPK1HIF1ATDP1
SCHEMBL11322474 0.67 CYP2C9 (0.41) FBP1TSHRLMNABRD4CYP1A2
Hydrochloric Acid SCHEMBL11329800 0.65 CYP2C9 (0.40) FBP1TSHRLMNABRD4CYP1A2
SCHEMBL2731209 0.65 ADRB2 (0.50) FBP1TSHRMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398795-B1 Aqueous isothiazolone formulation KATAYAMA CHEMICAL WORKS CO (JP) 1996-03-27 EP claimed
US-5591759-A ANTISEPTIC, ANTIFUNGAL TREATMENT KATAYAMA CHEMICAL, INC. (JP) 1997-01-07 US disclosed
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP disclosed
EP-0398795-B1 Aqueous isothiazolone formulation KATAYAMA CHEMICAL WORKS CO (JP) 1996-03-27 EP disclosed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP disclosed
EP-0398795-A2 Aqueous isothiazolone formulation KATAYAMA CHEMICAL, INC. (JP) 1990-11-22 EP disclosed