SCHEMBL4774637

SCHEMBL4774637

CCOC(=O)Nc1ccc(-c2[nH]c3cc(OC)cc(CC)c3c2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
MTNR1B P49286 2/20 0.43
NPC1 O15118 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
MTNR1A P48039 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 3/20 0.39
MET P08581 1/20 0.38
KDR P35968 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 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
SCHEMBL4773901 0.85 KCNQ2 (0.41) KCNQ2NPC1MEN1ALDH1A1KMT2A
SCHEMBL4779864 0.82 NOX1 (0.41) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL4879715 0.76 PIM1 (0.44) HTTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10095669 0.74 HSD17B10 (0.51) KCNQ2MTNR1BNPC1HTTMAPK1
SCHEMBL4780752 0.73 NPC1 (0.44) NPC1MAPTKDM4EHPGDRAB9A
SCHEMBL8590356 0.69 TUBB4A (0.48) HTTMEN1ALDH1A1KMT2AMAPT
SCHEMBL7556396 0.68 NPC1 (0.69) KCNQ2MTNR1BNPC1HTTMAPK1
SCHEMBL10095942 0.67 GRIK2 (0.54) KCNQ2MTNR1BNPC1HTTMAPK1
SCHEMBL982904 0.67 MTNR1B (0.46) KCNQ2MTNR1BNPC1HTTMAPK1
SCHEMBL10096283 0.66 MTNR1B (0.44) KCNQ2MTNR1BNPC1HTTMAPK1

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-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed