Bromide

Bromide

SCHEMBL11520163

CC=CC(=O)OCC(O)C[N+](C)(C)C.[Br-]

nearest known ligand 0.38

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 2/20 0.33
CHRM4 known ✓ P08173 2/20 0.33
CHRM1 known ✓ P11229 2/20 0.33
CHRM5 known ✓ P08912 1/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
MAPT P10636 4/20 0.38
SLC22A16 Q86VW1 1/20 0.38
TSHR P16473 3/20 0.33
GSTP1 P09211 1/20 0.33
TBXA2R P21731 1/20 0.33
LMNA P02545 2/20 0.32
GALR3 O60755 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL758620 0.98 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL270107 0.96 MAPT (0.42) MAPTSLC22A16TSHRCHRM2CHRM4
Phosphoric Acid SCHEMBL8763242 0.91 MAPT (0.35) MAPTSLC22A16TSHRCHRM2CHRM4
Sulfuric Acid SCHEMBL11519852 0.91 MAPT (0.35) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL20335453 0.86 TSHR (0.39) MAPTTSHRGSTP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10839320 0.85 MAPT (0.34) MAPTSLC22A16TSHRSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL8777402 0.83 HCAR2 (0.34) MAPTTSHRGSTP1HCAR2ATM
SCHEMBL23581952 0.81 TSHR (0.35) MAPTTSHRGSTP1SMN1; SMN2HCAR2
SCHEMBL2868662 0.81 KDM4E (0.43) TSHRGSTP1LMNAHCAR2ATM
SCHEMBL650096 0.81 HCAR2 (0.36) MAPTTSHRGSTP1LMNASMN1; SMN2

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
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed