SCHEMBL4656246

SCHEMBL4656246

CC(N)=C(C)c1ccncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
THRB P10828 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CYP2E1 P05181 2/20 0.33
CYP2C8 P10632 2/20 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
SCHEMBL4656245 1.00 HTT (0.38) HTTTDP1SIRT3NCOA3POLB
SCHEMBL13320901 0.79 MAPT (0.44) HTTTDP1SIRT3POLBKMT2A
SCHEMBL3284891 0.79 TDP1 (0.50) HTTTDP1SIRT3KMT2AALDH1A1
SCHEMBL17881866 0.79 HTT (0.40) HTTTDP1NCOA3KMT2AALDH1A1
SCHEMBL2848389 0.73 KDM4C (0.53) HTTTDP1KMT2AALDH1A1KDM4E
SCHEMBL29952392 0.73 KDM4C (0.53) HTTTDP1KMT2AALDH1A1KDM4E
SCHEMBL17257154 0.72 HTT (0.35) HTTNCOA3KMT2AALDH1A1KDM4E
SCHEMBL17257156 0.72 HTT (0.35) HTTNCOA3KMT2AALDH1A1KDM4E
SCHEMBL17256801 0.72 KDM4E (0.35) HTTTDP1SIRT3KMT2AALDH1A1
SCHEMBL17256799 0.72 KDM4E (0.35) HTTTDP1SIRT3KMT2AALDH1A1

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-1999110-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB Pharma, S.A. (BE) 2008-12-10 EP disclosed
WO-2007107345-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA, S.A. (BE) 2007-09-27 WO disclosed