SCHEMBL8912007

SCHEMBL8912007

COC(=O)C=Cc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 1/20 0.42
TYR P14679 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SNCA P37840 3/20 0.39
HDAC2 Q92769 1/20 0.39
LIMK1 P53667 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8912006 1.00 CA12 (0.43) CA12CA9CA1CA2ACHE
SCHEMBL8911155 0.86 CA12 (0.43) CA12CA9CA1CA2ACHE
SCHEMBL8911161 0.86 CA12 (0.43) CA12CA9CA1CA2ACHE
SCHEMBL8910856 0.83 CA12 (0.39) CA12CA9CA1CA2ACHE
SCHEMBL8910858 0.83 CA12 (0.39) CA12CA9CA1CA2ACHE
SCHEMBL8575317 0.79 LIMK1 (0.46) USP2HSD17B10LIMK1KDM4EMEN1
SCHEMBL8912130 0.78 CYP11B1 (0.43) USP2HSD17B10LIMK1KDM4EMEN1
SCHEMBL7102972 0.78 CA12 (0.64) CA12CA9CA1CA2TYR
SCHEMBL7102981 0.78 CA12 (0.64) CA12CA9CA1CA2TYR
SCHEMBL8910422 0.76 RORC (0.41) USP2HSD17B10LIMK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed