Bromide

Bromide

SCHEMBL8001925

Cc1nsc(NC(=O)C(C)c2ccc(O)cc2)c1Cl.[B+3].[Br-].[Br-].[Br-]

nearest known ligand 0.42

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
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
CRHBP P24387 3/20 0.42
CRHR2 Q13324 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR2 O15552 3/20 0.41
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
XBP1 P17861 1/20 0.34
FAAH O00519 1/20 0.34
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK2 P24941 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL5736347 0.97 MAPT (0.44) MAPTGAACRHBPCRHR2SMN1; SMN2
SCHEMBL8001928 0.93 MAPT (0.41) MAPTGAACRHBPCRHR2SMN1; SMN2
SCHEMBL5734469 0.84 RAB9A (0.43) MAPTGAASMN1; SMN2FFAR2KMT2A
SCHEMBL5734992 0.74 GAA (0.34) MAPTGAACRHBPCRHR2SMN1; SMN2
SCHEMBL7994622 0.70 FFAR2 (0.32) FFAR2ALDH1A1NTRK1
SCHEMBL3036063 0.67 ALDH1A1 (0.40) MAPTGAACRHBPCRHR2FFAR2
SCHEMBL7998418 0.66 MAPT (0.33) MAPTGAASMN1; SMN2KMT2AMEN1
SCHEMBL29167157 0.65 MAPT (0.58) MAPTGAACRHBPCRHR2SMN1; SMN2
SCHEMBL23453428 0.65 MAPT (0.57) MAPTGAACRHBPCRHR2SMN1; SMN2
SCHEMBL5739656 0.63 MAPT (0.51) MAPTGAACRHBPCRHR2SMN1; 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
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed