Bromide

Bromide

SCHEMBL7589970

Cc1cccc([P+](CCCCC(=O)O)(c2cccc(C)c2)c2cccc(C)c2)c1.[Br-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRAP1 Q12931 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
FFAR1 O14842 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
GAA P10253 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
Bromide SCHEMBL20541384 0.98 TSHR (0.47) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL20541328 0.95 TSHR (0.47) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL20541395 0.83 TSHR (0.41) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL20541325 0.83 TSHR (0.41) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL163452 0.82 ALDH1A1 (0.71) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL7591782 0.81 TSHR (0.50) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL3437057 0.80 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL5573865 0.80 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL8091612 0.80 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL20541362 0.80 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850926-B1 Difluoroprostaglandin derivatives and their use ASAHI GLASS CO LTD (JP) 2002-10-09 EP disclosed
US-5985920-A COMPOUNDS FOR TREATMENT OF VISION DEFECTS SUCH AS GLAUCOMA ASAHI GLASS COMPANY LTD. (JP) 1999-11-16 US disclosed
US-5886035-A PREVENTIVE AND THERAPEUTICAL MEDICINE FOR EYE DISEASE ASAHI GLASS COMPANY LTD. (JP) 1999-03-23 US disclosed
EP-0850926-A2 Difluoroprostaglandin derivatives and their use ASAHI GLASS COMPANY LTD. (JP) 1998-07-01 EP disclosed