SCHEMBL4777353

SCHEMBL4777353

COc1cc(C2CC2)c2c(C#N)c(-c3ccc(N)cc3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADORA1 P30542 2/20 0.34
TLR9 Q9NR96 1/20 0.34
GAA P10253 2/20 0.33
CLK1 P49759 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 0.88 TLR9 (0.33) MEN1KMT2AUSP2MAPTTLR9
SCHEMBL4775583 0.84 PDE10A (0.35) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL4778609 0.83 IKBKB (0.33) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4779526 0.82
SCHEMBL4780752 0.79 NPC1 (0.44) HPGDNPC1SMN1; SMN2KDM4EMAPT
SCHEMBL4779519 0.76 TLR9 (0.32) TLR9
SCHEMBL10097345 0.75 MAOA (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL5778419 0.70 MAPKAPK2 (0.40) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL4779864 0.68 NOX1 (0.41) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL4776654 0.67 PDE10A (0.36) MEN1KMT2APOLBUSP2KDM4E

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 4 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
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed