SCHEMBL2873806

SCHEMBL2873806

CC(C)CC(CO)c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.42
TAAR1 Q96RJ0 1/20 0.39
AAK1 Q2M2I8 4/20 0.39
CFB P00751 3/20 0.39
PRCP P42785 1/20 0.37
MAPK10 P53779 4/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2873832 0.88 SCN10A (0.40) SCN10ATAAR1AAK1CFBPRCP
SCHEMBL13119215 0.80 KDM4E (0.53) SCN10ACFBMAPK10PIN1KDM4E
SCHEMBL2872947 0.79 CSNK1D (0.41) SCN10ATAAR1AAK1CFBKDM4E
SCHEMBL6245308 0.74 SCN10A (0.39) SCN10ATAAR1AAK1CFBPRCP
SCHEMBL15311202 0.73 AAK1 (0.60) SCN10ATAAR1AAK1
SCHEMBL2866759 0.73 ALDH1A1 (0.39) TAAR1AAK1PRCPKDM4ELMNA
Trifluoroacetic Acid SCHEMBL5100346 0.72 SCN10A (0.45) SCN10ACFBPRCPMAPK10PIN1
SCHEMBL6241625 0.72 PRCP (0.40) SCN10ACFBPRCPMAPK10PIN1
SCHEMBL7653718 0.71 TDP1 (0.47) MAPK10PIN1
SCHEMBL24244074 0.71 CFB (0.40) SCN10ACFBPRCPMAPK10PIN1

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
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed