Bromide

Bromide

SCHEMBL18040802

Br.CC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(Cl)cn34)cs2)cc1

nearest known ligand 0.54

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 6/20 0.54
GAA P10253 6/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 2/20 0.54
ALOX12 P18054 2/20 0.54
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
FLT4 P35916 1/20 0.53
FLT3 P36888 1/20 0.53
MAPK8 P45983 1/20 0.53

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
SCHEMBL1684942 0.99 PRKD3 (0.54) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL12789865 0.91 GAA (0.55) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL3681184 0.90 HDAC6 (0.57) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040753 0.90 MAPT (0.54) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040665 0.90 MAPT (0.62) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL12789778 0.89 CFTR (0.53) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1684681 0.89 MEN1 (0.54) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040661 0.89 ALOX5 (0.63) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1684636 0.89 MAPT (0.60) MAPTGAAALDH1A1KDM4ELMNA
Bromide SCHEMBL18040740 0.88 ALOX5 (0.61) 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