Bromide

Bromide

SCHEMBL10526754

COc1cccc(C(=O)C[n+]2cc[nH]c2)c1.[Br-]

nearest known ligand 0.51

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
▸ CHRM2 known ✓ P08172 1/20 0.45
▸ CHRM1 known ✓ P11229 1/20 0.45
▸ CHRM3 known ✓ P20309 1/20 0.45
▸ MAPT P10636 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL10528532 0.99 MAPT (0.49) MAPTTDP1KDM4EGLACES2
Bromide SCHEMBL10528580 0.88 KMT2A (0.43) MAPTKDM4EGLANPC1RAB9A
SCHEMBL10526705 0.86 KMT2A (0.43) MAPTKDM4ENPC1RAB9APOLB
Bromide SCHEMBL10529155 0.83 KMT2A (0.49) MAPTTDP1KDM4EHDAC8HDAC6
SCHEMBL10531137 0.81 KMT2A (0.47) MAPTTDP1KDM4EHDAC8HDAC6
Hydrochloric Acid SCHEMBL8660681 0.80 TDP1 (0.56) MAPTTDP1KDM4EGLACES2
Bromide SCHEMBL3853588 0.79 MAPT (0.50) MAPTTDP1KDM4EGLACES2
Bromide SCHEMBL10529450 0.79 MEN1 (0.47) MAPTKDM4EGLAHSD11B1POLB
SCHEMBL4394987 0.77 KMT2A (0.54) MAPTTDP1KDM4EGLACES1
SCHEMBL10531115 0.77 MAPT (0.48) MAPTTDP1KDM4EGLACES2

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-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 — — EP claimed
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