Bromide

Bromide

SCHEMBL6851422

Br.CNC(=O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

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
CHRM2 known ✓ P08172 1/20 0.47
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL11801182 0.98 MAPT (0.54) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL17549812 0.87 BCHE (0.48) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL12893245 0.84 ALDH1A1 (0.51) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL11063357 0.81 KIF11 (0.54) TRPV1ALDH1A1BCHECHRM2PRSS1
SCHEMBL19490759 0.81 BCHE (0.50) MAPTTDP1POLBRAB9ANPC1
SCHEMBL25612493 0.81 ESR1 (0.53) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL15314351 0.80 BCHE (0.43) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL29046410 0.80 MAPT (0.51) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL77964 0.79 GABRA1 (0.40) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6739015 0.79 GABRA1 (0.40) MAPTTDP1L3MBTL1MEN1KMT2A

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
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed