SCHEMBL8026465

SCHEMBL8026465

CCOC(=O)C(C)(C(N)=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.43
▸ BCHE P06276 2/20 0.43
▸ RORC P51449 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.41
▸ ITK Q08881 4/20 0.40
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ACSL1 P33121 1/20 0.39
▸ HDAC1 Q13547 2/20 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
SCHEMBL8032010 0.76 CNR2 (0.48) CNR2BCHERORCHDAC6HTT
SCHEMBL8015782 0.76 RORC (0.58) RORCHDAC6ADORA2AHDAC1
SCHEMBL8016092 0.74 HDAC6 (0.47) CNR2BCHERORCF2HDAC6
SCHEMBL8029791 0.73 RORC (0.45) CNR2RORCF2HDAC6ITK
SCHEMBL8117041 0.73 RORC (0.40) CNR2BCHERORCHDAC6ITK
SCHEMBL8029864 0.72 ALDH1A1 (0.49) CNR2BCHERORCHDAC6HSD17B10
SCHEMBL8026468 0.72 F2 (0.48) CNR2BCHERORCF2HDAC6
SCHEMBL8026757 0.72 CNR2 (0.45) CNR2BCHERORCHDAC6ITK
SCHEMBL8028963 0.71 F2 (0.53) CNR2BCHEF2HDAC6ACSL1
SCHEMBL8029861 0.71 PPARG (0.49) CNR2BCHEHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
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