SCHEMBL5496728

SCHEMBL5496728

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.67
TSHR P16473 1/20 0.38
KIF11 P52732 3/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL5487286 0.83 HDAC8 (0.60) HDAC8TSHRKIF11
SCHEMBL8987968 0.82 HDAC8 (1.00) HDAC8TSHRMAPTKMT2A
SCHEMBL8731836 0.82
SCHEMBL5490663 0.81 HDAC8 (0.41) HDAC8TSHRKIF11APOBEC3AAPOBEC3G
Iodide SCHEMBL8404077 0.80 HDAC8 (0.96) HDAC8TSHRMAPTKMT2A
SCHEMBL5496030 0.77 HDAC8 (0.38) HDAC8MAPTKMT2A
SCHEMBL8987989 0.76 HDAC8 (0.73) HDAC8TSHRAPOBEC3AAPOBEC3GMAPT
SCHEMBL5490294 0.73 TSHR (0.38) HDAC8TSHRKIF11MAPT
SCHEMBL5495942 0.72 HDAC8 (0.68) HDAC8
Trifluoromethanesulfonic Acid SCHEMBL5480758 0.71 HDAC8 (0.69) HDAC8

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 4 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
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP disclosed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 WO disclosed