Bromide

Bromide

SCHEMBL7981260

Br.Cc1ccc(S(=O)(=O)Nc2ccc(NN)c(CC(C)C)c2)cc1

nearest known ligand 0.48

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
PTPRC P08575 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
GBA1 P04062 1/20 0.44
BRD4 O60885 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7400836 0.99 PTPRC (0.48) PTPRCLMNAALDH1A1MAPTMAPK1
SCHEMBL7404768 0.84 FFAR4 (0.57) PTPRCLMNAALDH1A1MAPTMAPK1
SCHEMBL7402012 0.80 ALDH1A1 (0.52) PTPRCLMNAALDH1A1MAPTMAPK1
Oxalic Acid SCHEMBL7965054 0.75 ALDH1A1 (0.50) PTPRCLMNAALDH1A1MAPTMAPK1
SCHEMBL7401941 0.71 LMNA (0.60) PTPRCLMNAALDH1A1MAPTMAPK1
SCHEMBL2005010 0.70 CA12 (0.81) LMNAALDH1A1MAPTMAPK1GFER
SCHEMBL31689490 0.70 MEN1 (0.51) PTPRCLMNAALDH1A1MAPTGFER
SCHEMBL31689499 0.70 MEN1 (0.51) PTPRCLMNAALDH1A1MAPTGFER
SCHEMBL12396096 0.69 KEAP1 (0.55) PTPRCLMNAALDH1A1MAPTMAPK1
SCHEMBL13629414 0.69 MAPT (0.55) PTPRCLMNAALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed