SCHEMBL5486758

SCHEMBL5486758

CCCCCCCCCCCCCCCC[n+]1ccc(C#N)cc1.c1ccc(C([N-]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.46
HSP90AA1 P07900 3/20 0.46
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CHRM1 P11229 2/20 0.45
ACHE P22303 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL5495945 1.00 RAD52 (0.46) RAD52HSP90AA1HSPD1HSPE1CHRM2
SCHEMBL5490872 1.00 RAD52 (0.46) RAD52HSP90AA1HSPD1HSPE1CHRM2
SCHEMBL5498495 1.00 RAD52 (0.46) RAD52HSP90AA1HSPD1HSPE1CHRM2
SCHEMBL5490674 0.95 RAD52 (0.38) RAD52HSP90AA1HSPD1HSPE1CHRM2
SCHEMBL5490294 0.85 TSHR (0.38) OPRM1DRD3MAPTTSHRCYP2D6
SCHEMBL5496030 0.82 HDAC8 (0.38) RAD52HSP90AA1HSPD1HSPE1CHRM2
Bromide SCHEMBL5489286 0.81 KMT2A (0.60) RAD52HSP90AA1HSPD1HSPE1CHRM2
Hydrochloric Acid SCHEMBL8775080 0.81 KMT2A (0.60) RAD52HSP90AA1HSPD1HSPE1CHRM2
SCHEMBL5487286 0.77 HDAC8 (0.60) SLC6A4TSHR
SCHEMBL8660074 0.76 KMT2A (0.50) RAD52HSP90AA1HSPD1HSPE1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854786-A1 Ionic liquids and their use in extraction processes BP p.l.c. (GB) 2007-11-14 EP claimed
EP-1854786-A1 Ionic liquids and their use in extraction processes BP p.l.c. (GB) 2007-11-14 EP disclosed