SCHEMBL4773901

SCHEMBL4773901

CCOC(=O)Nc1cc(CC)c2c(C#N)c(-c3ccc(OCC)cc3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.41
BRAF P15056 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
RXFP1 Q9HBX9 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL4774637 0.85 KCNQ2 (0.48) KCNQ2BRAFHPGDALDH1A1KDM4E
SCHEMBL4774067 0.69 RXRA (0.44) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL10095669 0.69 HSD17B10 (0.51) KCNQ2HPGDALDH1A1KDM4ENPSR1
SCHEMBL9515073 0.68 LMNA (0.69) HPGDALDH1A1KDM4ENPC1CRHBP
SCHEMBL981395 0.67 PFKFB2 (0.42) KCNQ2BRAFHPGDALDH1A1KDM4E
SCHEMBL10096350 0.66 ALDH1A1 (0.44) KCNQ2BRAFHPGDALDH1A1NPC1
SCHEMBL12105784 0.65 PFKFB2 (0.50) KCNQ2HPGDALDH1A1KDM4ENPSR1
SCHEMBL2033732 0.63 RAB9A (0.56) HPGDALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL11767621 0.62 KDM4E (0.70) HPGDALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL11104056 0.61 LMNA (0.69) HPGDALDH1A1NPSR1NPC1RAB9A

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-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed