Bromide

Bromide

SCHEMBL11310643

Br.Br.CC(C)C(N)C(=O)Nc1nccs1.O

nearest known ligand 0.60

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 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
TSHR P16473 1/20 0.57
HSPA9 P38646 3/20 0.56
HSPA5 P11021 6/20 0.54
FFAR2 O15552 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSPA2 P54652 1/20 0.54
XBP1 P17861 1/20 0.50
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ADORA2A P29274 1/20 0.49
HSPA8 P11142 1/20 0.48

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
SCHEMBL23804604 0.97 LMNA (0.59) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL7876872 0.97 LMNA (0.59) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL7868173 0.88 LMNA (0.56) LMNATSHRHSPA9HSPA5FFAR2
Bromide SCHEMBL11317007 0.86 LMNA (0.57) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL6056801 0.82 LMNA (0.51) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL7415644 0.82 HSPA5 (0.60) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL6056845 0.82 HSPA5 (0.60) LMNATSHRHSPA9HSPA5FFAR2
Hydrochloric Acid SCHEMBL7381658 0.81 LMNA (0.50) LMNATSHRHSPA9HSPA5FFAR2
Hydrochloric Acid SCHEMBL7417556 0.81 HSPA5 (0.59) LMNATSHRHSPA9HSPA5FFAR2
SCHEMBL1107000 0.80 ADORA2A (0.68) LMNATSHRHSPA9HSPA5FFAR2

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
US-4305949-A ANTIINFLAMMATORY AGENTS AND IMMUNOREGULATORY AGENTS PFIZER INC. (US) 1981-12-15 US disclosed
EP-0005070-B1 N-(2-THIAZOLYL)AMIDES AND THEIR USE AS ANTI-INFLAMMATORY AND IMMUNOREGULATORY AGENTS PFIZER INC. (US) 1981-12-09 EP disclosed
US-4217355-A N-(I-THIAZOLYL)-A-(SUBSTITUTED AMINO)AMIDES, ANTIINFLAMMATORY, IMMUNOREGULATIVE PFIZER INC. (US) 1980-08-12 US disclosed
EP-0005070-A2 N-(2-thiazolyl)amides and their use as anti-inflammatory and immunoregulatory agents PFIZER INC. (US) 1979-10-31 EP disclosed