SCHEMBL4776292

SCHEMBL4776292

CCOc1ccc(-c2[nH]c3cc(Br)cc(CC)c3c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
ESR2 Q92731 1/20 0.36
MGAT2 Q10469 1/20 0.36
PDE3A Q14432 2/20 0.35
PDE9A O76083 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSP90AB1 P08238 1/20 0.34
HPGD P15428 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
DUSP3 P51452 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL4773901 0.79 KCNQ2 (0.41) PDE10AHSD17B10MAPTALDH1A1KDM4E
SCHEMBL4779864 0.74 NOX1 (0.41) PDE10AMAPTESR2PDE9AALDH1A1
SCHEMBL4778982 0.72 PSEN1 (0.36) HSD17B10MAPTALDH1A1KDM4EHPGD
SCHEMBL4774067 0.71 RXRA (0.44) MAPTALDH1A1KDM4EHPGD
SCHEMBL4773204 0.68 CHEK2 (0.38) PDE10A
SCHEMBL4879715 0.67 PIM1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4775583 0.66 PDE10A (0.35) PDE10AHSD17B10MAPTPDE3AALDH1A1
SCHEMBL12966379 0.66 MAPT (0.50) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL1253383 0.64 PDE3A (0.37) HSD17B10MAPTPDE3AALDH1A1KDM4E
SCHEMBL1427328 0.64 KDM4E (0.36) HSD17B10MAPTALDH1A1KDM4EHPGD

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