Bromide

Bromide

SCHEMBL11728451

COc1ccc2c(cc[n+]3cc4c(O)c(OC)ccc4cc23)c1.[Br-]

nearest known ligand 0.53

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
ACHE known ✓ P22303 3/20 0.36
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TDO2 P48775 3/20 0.44
IDO1 P14902 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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 SCHEMBL11723855 0.94 CYP3A4 (0.55) CYP3A4MAPTTDO2IDO1TUBB4A
Bromide SCHEMBL11729419 0.90 CYP3A4 (0.53) CYP3A4MAPTTDO2IDO1CDC42
Bromide SCHEMBL11724102 0.89 CYP3A4 (0.46) CYP3A4MAPTTDO2IDO1TUBB4A
Bromide SCHEMBL11723876 0.89 MAPT (0.48) CYP3A4MAPTTDO2IDO1TUBB4A
Bromide SCHEMBL11726933 0.88 MAPT (0.45) CYP3A4MAPTTUBB4ATUBBTUBA3C
Bromide SCHEMBL11723835 0.87 CYP3A4 (0.53) CYP3A4MAPTTDO2IDO1MTNR1A
Bromide SCHEMBL11727104 0.86 MAPT (0.57) CYP3A4MAPTTDO2IDO1TUBB4A
Bromide SCHEMBL11728228 0.85 CYP3A4 (0.56) CYP3A4MAPTTDO2IDO1CDC42
Bromide SCHEMBL11730983 0.85 CYP3A4 (0.60) CYP3A4MAPTTDO2IDO1RAD52
Bromide SCHEMBL11727494 0.85 CYP3A4 (0.60) CYP3A4MAPTTDO2IDO1TUBB1

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-4042592-A ANTISARCOMA GROWTH KANEBO, LTD. (JA) 1977-08-16 US disclosed