SCHEMBL2555874

SCHEMBL2555874

O=C(O)Cc1ccccc1Oc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CAMK2A Q9UQM7 2/20 0.55
SRD5A2 P31213 2/20 0.51
CHRM1 P11229 1/20 0.51
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ABCB11 O95342 1/20 0.44
PTGS1 P23219 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGS2 P35354 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL838629 0.88 CAMK2A (0.68) CXCL8SLC6A2SLC6A4CAMK2ASRD5A2
Hydrogen Sulfide SCHEMBL28780977 0.86 CAMK2A (0.66) CXCL8SLC6A2SLC6A4CAMK2ASRD5A2
SCHEMBL11335218 0.85 CXCL8 (0.59) CXCL8CAMK2ASRD5A2CHRM1FFAR1
SCHEMBL10561756 0.85 CXCL8 (0.69) CXCL8SLC6A4CAMK2ACHRM1FFAR1
SCHEMBL2353783 0.85 CAMK2A (0.69) CXCL8CAMK2ACHRM1FFAR1AKR1B1
SCHEMBL22654316 0.85 LMNA (0.57) CXCL8SLC6A2SLC6A4SLC6A3CAMK2A
SCHEMBL2560429 0.84 HSD17B10 (0.51) SLC6A2SLC6A4SLC6A3CAMK2ASRD5A2
SCHEMBL872958 0.84 CXCL8 (0.67) CXCL8SLC6A2SLC6A4SLC6A3CAMK2A
Ammonia Solution, Strong SCHEMBL872909 0.83 CHRM1 (0.65) CXCL8SLC6A2SLC6A4SLC6A3CAMK2A
SCHEMBL11097326 0.82 CXCL8 (0.79) CXCL8CAMK2ACHRM1AKR1B1L3MBTL1

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
WO-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed