Bromide

Bromide

SCHEMBL10714879

Br.Cc1cc(N)c([N+](=O)[O-])cc1NCCN.O

nearest known ligand 0.51

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 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
KAT2B Q92831 7/20 0.47
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 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
SCHEMBL30808005 0.97 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL112790 0.97 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11056017 0.89 KAT2B (0.60) MAPTALDH1A1KAT2BLMNA
SCHEMBL11056141 0.85 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL6151634 0.84 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL29391950 0.84 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL111935 0.84 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL2471755 0.82 MAPT (0.50) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11054352 0.82 MAPT (0.49) MAPTALDH1A1LMNAKMT2ATSHR
SCHEMBL11059627 0.82 MAPT (0.50) MAPTALDH1A1KAT2BLMNA

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
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed
US-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed