SCHEMBL5490294

SCHEMBL5490294

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
CYP2A6 P11509 1/20 0.37
KIF11 P52732 4/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 4/20 0.34
MAOA P21397 3/20 0.34
ACSS2 Q9NR19 1/20 0.34
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5490674 0.87 RAD52 (0.38) TSHRHDAC8CYP2A6MAPTCYP2D6
SCHEMBL5498495 0.85 RAD52 (0.46) TSHRMAPTCYP2D6OPRM1DRD3
SCHEMBL5495945 0.85 RAD52 (0.46) TSHRMAPTCYP2D6OPRM1DRD3
SCHEMBL5490872 0.85 RAD52 (0.46) TSHRMAPTCYP2D6OPRM1DRD3
SCHEMBL5486758 0.85 RAD52 (0.46) TSHRMAPTCYP2D6OPRM1DRD3
SCHEMBL5490663 0.84 HDAC8 (0.41) TSHRHDAC8CYP2A6KIF11MAPT
SCHEMBL5487286 0.83 HDAC8 (0.60) TSHRHDAC8CYP2A6KIF11MAOB
SCHEMBL5490090 0.81 TSHR (0.35) TSHRHDAC8KIF11POLBMAPT
SCHEMBL28336347 0.80 HDAC8 (0.56) TSHRHDAC8CYP2A6KIF11POLB
Hydrochloric Acid SCHEMBL8775042 0.78 HDAC8 (0.54) TSHRHDAC8CYP2A6KIF11POLB

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