Bromide

Bromide

SCHEMBL11597653

C#CCOc1ccc2sc(C)[n+](CC#C)c2c1.[Br-]

nearest known ligand 0.44

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
▸ ACHE known ✓ P22303 1/20 0.33
▸ MAPT P10636 9/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GSTP1 P09211 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA12 O43570 5/20 0.35

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 SCHEMBL11597345 0.85 KDM4E (0.50) MAPTALDH1A1GAACYP1A2CYP3A4
Iodide SCHEMBL11599406 0.81 MAPT (0.62) MAPTALDH1A1GAACYP1A2CYP3A4
Bromide SCHEMBL11598353 0.76 MAPT (0.66) MAPTALDH1A1GAACYP1A2CYP3A4
Bromide SCHEMBL11599612 0.74 MAOB (0.38) ALDH1A1GAAKDM4EMAOAMAOB
Bromide SCHEMBL11598433 0.73 MAPT (0.64) MAPTALDH1A1GAACYP1A2CYP3A4
SCHEMBL21877858 0.67 MAOB (0.44) ALDH1A1GAACYP1A2CYP3A4KDM4E
SCHEMBL14403381 0.67 MAPT (0.75) MAPTALDH1A1GAACYP1A2CYP3A4
Bromide SCHEMBL6120521 0.67 MAPT (0.64) MAPTALDH1A1GAACYP1A2CYP3A4
SCHEMBL10581617 0.67 PDE10A (0.54) MAPTALDH1A1GAAHPGDTDP1
SCHEMBL386377 0.65 KDM4E (0.53) ALDH1A1GAAKDM4ETDP1MAOA

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-4115122-A Internal latent image silver halide emulsion containing a heterocyclic quaternary salt having a propargyl or a butyryl containing substituent FUJI PHOTO FILM CO., LTD. (JP) 1978-09-19 — — US claimed
US-4115122-A Internal latent image silver halide emulsion containing a heterocyclic quaternary salt having a propargyl or a butyryl containing substituent FUJI PHOTO FILM CO., LTD. (JP) 1978-09-19 — — US disclosed
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