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Bromide

Bromide

SCHEMBL10180685

Br.CCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)c(C)n5)ccc4n3C)CC2)cc1

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 3)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 19/20 0.51
▸ PIK3CA P42336 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48

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
SCHEMBL10180974 0.99 STAT3 (0.51) STAT3PIK3CAPRKAA2
SCHEMBL3059167 0.92 STAT3 (0.49) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3051528 0.90 STAT3 (0.53) STAT3PIK3CAPRKAA2
SCHEMBL10180482 0.88 STAT3 (0.55) STAT3PIK3CAPRKAA2
Maleic Acid SCHEMBL3061327 0.85 PIK3CA (0.41) STAT3PIK3CAPRKAA2
Fumaric Acid SCHEMBL3061331 0.85 PIK3CA (0.41) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3056975 0.85 STAT3 (0.57) STAT3PIK3CAPRKAA2
Maleic Acid SCHEMBL3063405 0.85 STAT3 (0.52) STAT3PIK3CAPRKAA2
Fumaric Acid SCHEMBL3063410 0.85 STAT3 (0.52) STAT3PIK3CAPRKAA2
SCHEMBL3062544 0.84 SCN9A (0.45) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed