Bromide

Bromide

SCHEMBL9512786

Br.N=C1SCCN1Cc1ccccc1

nearest known ligand 0.59

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
SIGMAR1 known ✓ Q99720 1/20 0.44
CHRNA1 P02708 1/20 0.59
CHRNA7 P36544 1/20 0.59
MAPK1 P28482 2/20 0.49
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
INMT O95050 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 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
SCHEMBL25002012 0.98 CHRNA1 (0.60) CHRNA1CHRNA7MAPK1LMNAKDM4E
SCHEMBL25002904 0.88 INMT (0.51) CHRNA1CHRNA7MAPK1LMNASMN1; SMN2
SCHEMBL25001916 0.86 CHRNA1 (0.49) CHRNA1CHRNA7MAPK1LMNAKDM4E
Bromide SCHEMBL27273151 0.83 SLC6A3 (0.44) CHRNA1CHRNA7LMNAKDM4EMAPT
SCHEMBL7507814 0.82 CHRNA7 (0.68) CHRNA1CHRNA7LMNAKDM4EMAPT
SCHEMBL7999126 0.81 CHRNA7 (0.61) CHRNA1CHRNA7MAPK1LMNAKDM4E
SCHEMBL4182979 0.80 MAPK1 (0.57) MAPK1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL6359826 0.79 CHRNA1 (0.59) CHRNA1CHRNA7MAPK1LMNAKDM4E
SCHEMBL10416940 0.76 KMT2A (0.58) MAPK1LMNAKDM4EMAPTSMN1; SMN2
Descyanothiacloprid SCHEMBL1556829 0.74 CHRNA7 (1.00) CHRNA1CHRNA7SMN1; SMN2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320910-B1 2-Thiazolidinone derivatives, pharmaceutical compositions containing them, process for preparing same, and use RICHTER GEDEON VEGYESZET (HU) 1993-12-08 EP disclosed
US-4937252-A 2-thiazolidinone derivatives, pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1990-06-26 US disclosed
EP-0320910-A1 2-Thiazolidinone derivatives, pharmaceutical compositions containing them, process for preparing same, and use RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1989-06-21 EP disclosed
US-4616025-A ANTIULCER AGENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-10-07 US disclosed