Bromide

Bromide

SCHEMBL4311928

COC(=O)C1=CC=CC1.[Br-].[Br-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

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
TSHR P16473 2/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
SLC6A3 Q01959 2/20 0.35
NR4A2 P43354 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL8947531 0.80
SCHEMBL7632368 0.79 CHRM3 (0.40) TSHRCRHBPCRHR2LMNAHSD17B10
Bicarbonate SCHEMBL11493509 0.74 CHRM3 (0.37) TSHRCRHBPCRHR2LMNAHSD17B10
Methyl Benzoate SCHEMBL28154074 0.72 TSHR (0.76) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL28013731 0.71 CYP3A4 (0.57) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL10484531 0.71 TSHR (0.67) TSHRALDH1A1MAPTTDP1POLB
SCHEMBL9340188 0.71 TSHR (0.67) TSHRALDH1A1MAPTTDP1POLB
Acetic Acid Methyl Ester SCHEMBL19208995 0.69 TDP1 (0.55) TSHRLMNAHSD17B10ALDH1A1MAPT
SCHEMBL10484479 0.68 TSHR (0.57) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL1417759 0.68 LMNA (0.52) TSHRLMNAHSD17B10ALDH1A1CFTR

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-20090264608-A1 METHOD FOR PRODUCING NORBORNENE BASED ADDITION (CO)POLYMER NIHON UNIVERSITY (JP) 2009-10-22 US disclosed
EP-2033978-A1 Method for producing norbornene based addition (co)polymer Nihon University (JP) 2009-03-11 EP disclosed
EP-1826221-A1 METHOD FOR PRODUCING NORBORNENE BASED ADDITION (CO)POLYMER Nihon University (JP) 2007-08-29 EP disclosed