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Bromobenzene

Bromobenzene

SCHEMBL9227147

Brc1ccccc1.Cc1cc(C)cc(Br)c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ ACHE P22303 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TACR1 P25103 3/20 0.42
▸ RAPGEF4 Q8WZA2 2/20 0.39
▸ NQO2 P16083 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ CYP1A2 P05177 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
Bromobenzene SCHEMBL22288296 0.95 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL249769 0.83 — —
Bromobenzene SCHEMBL6427476 0.80 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL6291138 0.80 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL30423254 0.78 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL13799168 0.78 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL22384034 0.77 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1ACHETSHR
SCHEMBL156099 0.76 — —
Bromobenzene SCHEMBL1997962 0.76 — —
Bromobenzene SCHEMBL27395923 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657425-A1 Process for the preparation of chiral aminoalcohols Degussa Aktiengesellschaft (DE) 1995-06-14 — — EP disclosed