Bromide

Bromide

SCHEMBL4625441

Br.CCn1ccc2cc(O)c(O)cc21

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.36
GPR35 Q9HC97 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
TNF P01375 1/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37

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
SCHEMBL108725 0.98 GPR35 (0.42) GPR35TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29803617 0.98 GPR35 (0.42) GPR35TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL4625202 0.96 GPR35 (0.41) GPR35TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6941609 0.90 HTR2A (0.40) GPR35TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29670034 0.83 HTR2A (0.42) GPR35TNFHTR2AHTR2CMTNR1A
SCHEMBL108285 0.83 HTR2A (0.42) GPR35TNFHTR2AHTR2CMTNR1A
SCHEMBL29915749 0.80 ALDH1A1 (0.43) TNFHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL111621 0.80 ALDH1A1 (0.43) TNFHTR2AHTR2CMTNR1AMTNR1B
Quinoline SCHEMBL27735431 0.80 ALDH1A1 (0.45) CYP19A1MTNR1AKDM4EMEN1MAPT
SCHEMBL1881998 0.78 CDK4 (0.46) TNFHTR2AHTR2CKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234569-B1 COMPOSITIONS FOR DYEING KERATIN FIBRES LION CORP (JP) 2008-07-02 EP disclosed
US-6958080-B2 Compositions for dyeing keratinous fiber LION CORPORATION (JP) 2005-10-25 US disclosed
EP-1234569-A1 COMPOSITIONS FOR DYEING HORNY FIBERS Lion Corporation (JP) 2002-08-28 EP disclosed