SCHEMBL9499558

SCHEMBL9499558

CCC(=O)OCCC(Br)(Br)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
VCP P55072 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FBP1 P09467 1/20 0.30

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
SCHEMBL9500935 0.81 ALDH1A1 (0.38) GAAALDH1A1LMNAKMT2A
SCHEMBL6450202 0.81 RECQL (0.36) NAAAGAARECQLALDH1A1KDM4E
SCHEMBL7158605 0.74 LMNA (0.43) NAAAGAARECQLALDH1A1KDM4E
SCHEMBL9499560 0.72 LMNA (0.31) LMNA
SCHEMBL17176122 0.71 NAAA (0.47) NAAAGAARECQLHTTALDH1A1
SCHEMBL6792231 0.70 NAAA (0.50) NAAAGAAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28279690 0.69 NAAA (0.45) NAAAGAARECQLHTTALDH1A1
SCHEMBL5396590 0.69 NAAA (0.48) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL8581054 0.69 NAAA (0.48) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL50301 0.68 NAAA (0.64) NAAAGAAHTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373759-B1 COMPOUND, COMPOSITION, PROCESS AND USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-09 EP claimed
EP-0373759-A1 Compound, composition, process and use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP claimed
EP-0373759-B1 COMPOUND, COMPOSITION, PROCESS AND USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-09 EP disclosed
US-5112871-A ANTI-MICROBIAL BROMO-NITRO COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0373759-A1 Compound, composition, process and use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP disclosed