Bromide

Bromide

SCHEMBL7199727

Cc1ccccc1[P+](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(c1ccccc1C)c1ccccc1C.[Br-]

nearest known ligand 0.39

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 0.37
MAPT P10636 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPBWR1 P48145 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
Hydrochloric Acid SCHEMBL7192434 0.97 MAPT (0.39) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Iodide SCHEMBL7194039 0.97 MAPT (0.39) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Acetic Acid SCHEMBL8750044 0.93 ALDH1A1 (0.40) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL7197564 0.93 MAPT (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Acetic Acid SCHEMBL7199760 0.91 ALDH1A1 (0.39) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Succinic Acid SCHEMBL7199754 0.90 ALDH1A1 (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL5828742 0.78 LMNA (0.44) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL7198157 0.76 ACHE (0.47) MAPTCYP1A2CYP2C19MEN1KMT2A
Bromide SCHEMBL7194050 0.75 TSHR (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL6060755 0.73 SNCA (0.39) CYP2D6TSHRLMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624173-B2 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 2003-04-09 EP disclosed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP disclosed
EP-0624173-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS. DOW CHEMICAL CO (US) 1994-11-17 EP disclosed
US-5360886-A Alklyphenylphosphine or phosphonium catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-01 US disclosed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
WO-1993015126-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS THE DOW CHEMICAL COMPANY (US) 1993-08-05 WO disclosed
US-5202407-A Phosphonium or phosphine catalyst having at least three alkylphenyl groups attached to phosphorus atom THE DOW CHEMICAL COMPANY (US) 1993-04-13 US disclosed