SCHEMBL4775583

SCHEMBL4775583

CCOc1cc(C2CCC2)c2c(C#N)c(-c3ccc(N)cc3)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 5/20 0.34
MAPK1 P28482 5/20 0.34
HPGD P15428 5/20 0.34
MAPT P10636 4/20 0.34
ALOX15 P16050 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 4/20 0.33
IKBKB O14920 2/20 0.33
TP53 P04637 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4771469 0.85 TLR9 (0.33) MAPTMEN1KMT2A
SCHEMBL4777353 0.84 MAOA (0.37) PDE10AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4779526 0.78
SCHEMBL4778609 0.76 IKBKB (0.33) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4779519 0.74 TLR9 (0.32)
SCHEMBL4776654 0.68 PDE10A (0.36) PDE10AKDM4EMAPTMEN1KMT2A
SCHEMBL4780752 0.67 NPC1 (0.44) KDM4EHPGDMAPTSMN1; SMN2RXFP1
SCHEMBL4776292 0.66 PDE10A (0.38) PDE10AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10097345 0.64 MAOA (0.50) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL982506 0.63 TSHR (0.36) KDM4EALDH1A1HSD17B10MAPK1HPGD

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