Bromide

Bromide

SCHEMBL7972901

Br.O=C(CBr)COc1ccccn1

nearest known ligand 0.48

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
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSMB5 P28074 1/20 0.44
GRM4 Q14833 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SCN7A Q01118 4/20 0.37
KCNH2 Q12809 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL3891985 0.87 TSHR (0.54) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL176214 0.78 ALOX15 (0.55) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL30746861 0.78 ALOX15 (0.55) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL3464071 0.77
Hydrochloric Acid SCHEMBL1280719 0.77 ALOX15 (0.53) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL11245928 0.77 TSHR (0.51) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL7969480 0.77 TSHR (0.55) TSHRNPC1RAB9ASMN1; SMN2PSMB5
Hydrochloric Acid SCHEMBL31124708 0.77 ALOX15 (0.53) TSHRNPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL1178753 0.77 TSHR (0.51) TSHRNPC1RAB9ASMN1; SMN2PSMB5
Hydrochloric Acid SCHEMBL11258002 0.75 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2PSMB5

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-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed