Bromide

Bromide

SCHEMBL7479463

Br.O=C1CCCc2sc3nc(-c4ccccc4)cn3c21

nearest known ligand 0.64

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
SMN1; SMN2 Q16637 10/20 0.64
TP53 P04637 9/20 0.64
RAB9A P51151 8/20 0.64
MAPT P10636 8/20 0.64
NPC1 O15118 7/20 0.64
ALDH1A1 P00352 5/20 0.64
TSHR P16473 5/20 0.64
PKM P14618 2/20 0.64
KMT2A Q03164 1/20 0.64
HDAC6 Q9UBN7 1/20 0.47
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL8070025 0.99 SMN1; SMN2 (0.62) SMN1; SMN2TP53RAB9AMAPTNPC1
Bromide SCHEMBL7479450 0.80 SMN1; SMN2 (0.64) SMN1; SMN2TP53RAB9AMAPTNPC1
Bromide SCHEMBL7475518 0.78 MAPT (0.56) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL7479395 0.78 SMN1; SMN2 (0.62) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL11136884 0.78 SMN1; SMN2 (0.49) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL5553141 0.77 SMN1; SMN2 (0.97) SMN1; SMN2TP53RAB9AMAPTNPC1
Dimethylamine SCHEMBL8559714 0.73 SMN1; SMN2 (0.87) SMN1; SMN2TP53RAB9AMAPTNPC1
Bromide SCHEMBL11359084 0.69 RAB9A (0.68) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL11353979 0.69 SMN1; SMN2 (0.60) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL8596815 0.69 HSD17B10 (0.47) SMN1; SMN2TP53RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843681-B1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO LTD (KR) 2002-03-06 EP disclosed
US-6043373-A ANTIULCER AGENT YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2000-03-28 US disclosed