Bromide

Bromide

SCHEMBL9166949

Br.CCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2cccc(Cc3cccnc3)c2)cc1C(C)(C)C

nearest known ligand 0.45

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 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
NR1H4 Q96RI1 1/20 0.37
LTA4H P09960 1/20 0.37

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 SCHEMBL9163514 0.93 L3MBTL1 (0.40) L3MBTL1GRM2TP53LMNANR1H4
Bromide SCHEMBL9166036 0.93 THRA (0.42) THRATHRBGRM2TP53LMNA
Bromide SCHEMBL9165056 0.88 QPCT (0.44) L3MBTL1GRM2TP53
Bromide SCHEMBL9162320 0.88 ATM (0.44) THRATHRBL3MBTL1GRM2TP53
Bromide SCHEMBL9169207 0.88 CYP3A4 (0.41) THRATHRBL3MBTL1GRM2TP53
Bromide SCHEMBL9169245 0.88 TP53 (0.44) L3MBTL1GRM2TP53LMNALTA4H
Bromide SCHEMBL9166596 0.88 ATM (0.44) THRATHRBL3MBTL1GRM2TP53
Bromide SCHEMBL9168018 0.87 L3MBTL1 (0.41) L3MBTL1GRM2TP53LMNALTA4H
Bromide SCHEMBL9166876 0.87 LTA4H (0.40) THRATHRBGRM2TP53LMNA
Bromide SCHEMBL9167396 0.85 NFKB1 (0.48) L3MBTL1GRM2LMNALTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed