Bromobenzene

Bromobenzene

SCHEMBL27324784

Brc1ccccc1.CCC(=O)OC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GAA P10253 3/20 0.43
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.41

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
Bromobenzene SCHEMBL28192537 0.84 HPGD (0.46) HPGDPOLBALDH1A1KDM4ETDP1
Biphenyl SCHEMBL11806686 0.83 SMN1; SMN2 (0.53) HPGDPOLBALDH1A1KDM4EMAPT
Benzene SCHEMBL27929884 0.82 TSHR (0.50) POLBALDH1A1KDM4EMAPTGAA
Bromobenzene SCHEMBL28295090 0.82 HPGD (0.45) HPGDPOLBALDH1A1KDM4ETDP1
Bromobenzene SCHEMBL27322327 0.82 KMT2A (0.45) HPGDPOLBALDH1A1KDM4ETDP1
Toluene SCHEMBL27324786 0.82 POLB (0.47) POLBALDH1A1KDM4ETDP1GAA
Phenol SCHEMBL7218267 0.82 ESRRB (0.50) HPGDPOLBALDH1A1KDM4ETDP1
Bromobenzene SCHEMBL28154889 0.81 ALDH1A1 (0.55) HPGDALDH1A1KDM4EMAPTTDP1
Aniline SCHEMBL28348599 0.80 POLB (0.46) POLBALDH1A1KDM4EGAAELANE
Phenol SCHEMBL27776505 0.80 ESRRB (0.49) HPGDPOLBALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028529-C Process for preparing endophenylene oxabicycloheptyl substituted prostaglandin analogs SQUIBB & SONS INC (US) 1995-05-24 CN disclosed
CN-1046163-A The heterocycleamide prostanoid analogue that is used for the treatment of the interior phenylene 7-oxabicyclo heptyl replacement of thrombosis and vasospasm disease SQUIBB & SONS INC (US) 1990-10-17 CN disclosed