Bromide

Bromide

SCHEMBL7166807

CCCCCCCCCCC(O)[n+]1ccc(-c2ccncc2)cc1.[Br-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
EIF4H Q15056 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NAAA Q02083 1/20 0.36

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
Hydrochloric Acid SCHEMBL16398951 0.81 MAPT (0.42) CYP2D6MAPTMEN1TP53CYP1A2
Bromide SCHEMBL7166810 0.80 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL28448933 0.78 CYP3A4 (0.47) CYP2D6MAPTCYP3A4LMNANAAA
Bromide SCHEMBL1996581 0.77 KMT2A (0.49) CYP2D6MAPTMEN1TP53CYP1A2
SCHEMBL12566371 0.76 MAPT (0.51) CYP2D6MAPTMEN1TP53CYP1A2
Bromide SCHEMBL2868130 0.74 KMT2A (0.75) CYP2D6MAPTMEN1TP53CYP1A2
Bromide SCHEMBL6024741 0.74 KMT2A (0.75) CYP2D6MAPTMEN1TP53CYP1A2
Bromide SCHEMBL7141677 0.74 KMT2A (0.75) CYP2D6MAPTMEN1TP53CYP1A2
Bromide SCHEMBL6224118 0.74 KMT2A (0.75) CYP2D6MAPTMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL11436662 0.74 KMT2A (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed