Bromide

Bromide

SCHEMBL28375499

Br.CC(C)(C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

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
SLC6A2 known ✓ P23975 1/20 0.32
ACHE known ✓ P22303 1/20 0.32
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 2/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL31352841 0.97 ALDH1A1 (0.37) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL31558571 0.74 MAPK1 (0.42) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL9745936 0.70 KMT2A (0.38) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL9745344 0.70 ALDH1A1 (0.37) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL9745422 0.70 MAPK1 (0.33) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL7742549 0.70 MAPK1 (0.33) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL9745740 0.69 ALDH1A1 (0.33) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL30739830 0.67 KCNN4 (0.39) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL5952408 0.65 TP53 (0.33) ALDH1A1MAPK1TAAR1SLC6A2LMNA
SCHEMBL1026637 0.63 TSHR (0.39) ALDH1A1CYP3A4SLC6A2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110907566-B Detection method of fenbutatin oxide in food 秦皇岛海关技术中心 2022-08-12 CN claimed
CN-110907566-A Method for detecting fenbutatin oxide in food 秦皇岛海关技术中心 2020-03-24 CN claimed
CN-110907566-B Detection method of fenbutatin oxide in food 秦皇岛海关技术中心 2022-08-12 CN disclosed
CN-110907566-B Detection method of fenbutatin oxide in food 秦皇岛海关技术中心 2022-08-12 CN disclosed
CN-110907566-A Method for detecting fenbutatin oxide in food 秦皇岛海关技术中心 2020-03-24 CN disclosed
CN-110907566-A Method for detecting fenbutatin oxide in food 秦皇岛海关技术中心 2020-03-24 CN disclosed