Bromide

Bromide

SCHEMBL9221277

Br.N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

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 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
SIRT2 Q8IXJ6 2/20 0.58
SIRT1 Q96EB6 1/20 0.58
ITGB3 P05106 2/20 0.57
ITGAV P06756 2/20 0.57
TGM2 P21980 9/20 0.53
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL631840 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL5145708 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL6768020 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
Water SCHEMBL7266301 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Hydrochloric Acid SCHEMBL29401494 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Water SCHEMBL7274005 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Hydrochloric Acid SCHEMBL333889 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Hydrochloric Acid SCHEMBL333888 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL11411256 0.94 CTSL (0.56) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL9500591 0.92 SIRT2 (0.54) FOLH1SIRT2SIRT1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-5399487-A 6-peptidylamino-1-naphthalenesulfonamides useful as fluorogenic proteolytic enzyme substrates HAEMATOLOGIC TECHNOLOGIES, INC. (US) 1995-03-21 US disclosed
EP-0295316-A2 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-12-21 EP disclosed
US-4732970-A Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-03-22 US disclosed
US-RE30473-E ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1981-01-06 US disclosed