SCHEMBL5490663

SCHEMBL5490663

CC[n+]1cccc(C#N)c1.c1ccc(C([N-]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.35
KIF11 P52732 3/20 0.32
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL5496030 0.87 HDAC8 (0.38) HDAC8MAPTKMT2A
SCHEMBL5490294 0.84 TSHR (0.38) HDAC8MAPTTSHRKIF11CYP2A6
SCHEMBL28333922 0.83 HDAC8 (0.57) HDAC8MAPTKMT2ATSHRCYP2A6
Bromide SCHEMBL10610087 0.82 HDAC8 (0.55) HDAC8MAPTKMT2ATSHRCYP2A6
SCHEMBL5496728 0.81 HDAC8 (0.67) HDAC8MAPTKMT2ATSHRKIF11
SCHEMBL5490674 0.75 RAD52 (0.38) HDAC8MAPTKMT2ATSHRCYP2A6
SCHEMBL5487286 0.73 HDAC8 (0.60) HDAC8TSHRKIF11CYP2A6
SCHEMBL5495945 0.73 RAD52 (0.46) MAPTKMT2ATSHRKDM4E
SCHEMBL5498495 0.73 RAD52 (0.46) MAPTKMT2ATSHRKDM4E
SCHEMBL5490872 0.73 RAD52 (0.46) MAPTKMT2ATSHRKDM4E

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