Bromide

Bromide

SCHEMBL28376646

Br.C=Cc1ccc(CC(C)n2ccnc2)cc1

nearest known ligand 0.43

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 7)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 14/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP24A1 Q07973 1/20 0.38
▸ CYP17A1 P05093 3/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL23301136 0.99 CYP19A1 (0.44) CYP19A1KDM4ECYP24A1CYP17A1KMT2A
SCHEMBL27918686 0.85 CYP19A1 (0.39) CYP19A1KDM4ECYP24A1CYP17A1KMT2A
SCHEMBL28178686 0.82 CYP19A1 (0.44) CYP19A1CYP24A1CYP17A1
SCHEMBL27831290 0.80 CYP19A1 (0.49) CYP19A1CYP24A1CYP17A1
SCHEMBL27862767 0.79 CYP19A1 (0.60) CYP19A1KDM4ECYP24A1CYP17A1CYP11B1
Hydrochloric Acid SCHEMBL28794239 0.77 CYP19A1 (0.59) CYP19A1KDM4ECYP24A1CYP17A1CYP11B1
SCHEMBL28192749 0.76 CYP19A1 (0.48) CYP19A1CYP17A1
Boric Acid SCHEMBL27962835 0.76 CYP19A1 (0.45) CYP19A1CYP24A1CYP17A1
Styrene SCHEMBL28020125 0.75 CYP17A1 (0.50) CYP19A1KDM4ECYP17A1KMT2ACYP11B1
SCHEMBL7769279 0.75 QPCT (0.44) CYP19A1KDM4EKMT2A

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
CN-107722301-B Preparation method of chemical/ionic double-crosslinking interpenetrating network hydrogel 青岛科技大学 2020-02-14 — — CN disclosed
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