Bromide

Bromide

SCHEMBL9447770

Br.CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N(c1ccccc1)[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ SIRT2 Q8IXJ6 6/20 0.37
▸ SIRT1 Q96EB6 5/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ CTSL P07711 1/20 0.36
▸ SIRT5 Q9NXA8 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
SCHEMBL5052635 0.83 PPIA (0.42) MEN1LMNAKMT2ATGM2
Hydrochloric Acid SCHEMBL10960457 0.83 SIRT2 (0.49) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL10946482 0.83 SIRT2 (0.49) TGM2SIRT2SIRT1SIRT3SIRT5
SCHEMBL2268022 0.79 SIRT5 (0.57) TGM2SIRT2SIRT1SIRT3SIRT5
SCHEMBL1088124 0.79 SSTR3 (0.54) SIRT2SIRT1SIRT3CTSLSIRT5
SCHEMBL2007479 0.78 PPIA (0.43) MEN1LMNAKMT2ATGM2SIRT5
Hydrochloric Acid SCHEMBL10884941 0.78 SIRT5 (0.56) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL10943848 0.78 SIRT5 (0.56) TGM2SIRT2SIRT1SIRT3SIRT5
SCHEMBL1529286 0.78 SIRT2 (0.48) MEN1LMNAKMT2ASIRT2SIRT1
Hydrochloric Acid SCHEMBL10946501 0.77 ALDH1A1 (0.41) MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028526-A Applying to a membrane which allows plasma to pass through and retains the particles Deutsch, Alice (US) 1991-07-02 — — US claimed
US-5185246-A Using membrane with specific pore size to trap particles and pass seminal plasma DEUTSCH ALICE (US) 1993-02-09 — — US disclosed
US-5028526-A Applying to a membrane which allows plasma to pass through and retains the particles Deutsch, Alice (US) 1991-07-02 — — US disclosed
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