Bromide

Bromide

SCHEMBL18040770

Br.Cc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.82

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 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.82
▸ GAA P10253 8/20 0.82
▸ ALDH1A1 P00352 7/20 0.82
▸ KDM4E B2RXH2 6/20 0.82
▸ LMNA P02545 5/20 0.82
▸ HPGD P15428 3/20 0.82
▸ RAB9A P51151 2/20 0.82
▸ ALOX12 P18054 2/20 0.82
▸ CYP1A2 P05177 2/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ CYP2C19 P33261 1/20 0.82
▸ PKM P14618 4/20 0.81
▸ POLB P06746 1/20 0.81
▸ HTT P42858 4/20 0.80
▸ MAPK1 P28482 2/20 0.80
▸ KMT2A Q03164 4/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ L3MBTL1 Q9Y468 2/20 0.78

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
SCHEMBL1684657 0.99 MAPT (0.84) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040788 0.91 MAPT (0.98) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1684711 0.90 MAPT (1.00) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040682 0.90 MAPT (0.79) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040748 0.89 MAPT (0.82) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL3426202 0.89 MAPT (0.82) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL12390656 0.89 MAPT (1.00) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1684531 0.88 MAPT (0.80) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1684579 0.88 MAPT (0.84) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL12427000 0.88 MAPT (0.84) MAPTGAAALDH1A1KDM4ELMNA

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
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 — — EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 — — EP disclosed
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 — — EP disclosed
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