Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL19971582

Br.Br.Br.Br.C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1)Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

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
▸ ACHE known ✓ P22303 1/20 0.41
▸ DNM1 Q05193 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 4/20 0.54
▸ PSMD14 O00487 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MC4R P32245 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ SRD5A2 P31213 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL320399 0.98 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231434 0.97 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16731588 0.94 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL11412610 0.91 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL485968 0.90 ALDH1A1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16788930 0.89 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231675 0.89 ALDH1A1 (0.48) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL20919878 0.88 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL14521789 0.86 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL29669478 0.84 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554571-B1 HYDROPHOBIC ACTIVE AGENT PARTICLE COATINGS AND METHODS FOR TREATMENT SURMODICS INC (US) 2024-11-13 — — EP disclosed
US-11712545-B2 Lubricious insertion tools for medical devices and methods for using SURMODICS, INC. (US) 2023-08-01 — — US disclosed
US-11123459-B2 Hydrophobic active agent particle coatings and methods for treatment SURMODICS, INC. (US) 2021-09-21 — — US disclosed
EP-3554571-A1 HYDROPHOBIC ACTIVE AGENT PARTICLE COATINGS AND METHODS FOR TREATMENT Surmodics, Inc. (US) 2019-10-23 — — EP disclosed
EP-3512591-A1 LUBRICIOUS INSERTION TOOLS FOR MEDICAL DEVICES AND METHODS FOR USING Surmodics, Inc. (US) 2019-07-24 — — EP disclosed
WO-2018112196-A1 HYDROPHOBIC ACTIVE AGENT PARTICLE COATINGS AND METHODS FOR TREATMENT SURMODICS, INC. (US) 2018-06-21 — — WO disclosed
US-20180169305-A1 HYDROPHOBIC ACTIVE AGENT PARTICLE COATINGS AND METHODS FOR TREATMENT BANK OF MONTREAL, AS COLLATERAL AGENT 2018-06-21 — — US disclosed
US-20180078744-A1 LUBRICIOUS INSERTION TOOLS FOR MEDICAL DEVICES AND METHODS FOR USING BANK OF MONTREAL, AS COLLATERAL AGENT 2018-03-22 — — US disclosed
WO-2018053124-A1 LUBRICIOUS INSERTION TOOLS FOR MEDICAL DEVICES AND METHODS FOR USING SURMODICS, INC. (US) 2018-03-22 — — WO disclosed