SCHEMBL3262931

SCHEMBL3262931

CCCc1ccc2c(Nc3cc(Sc4ccc(N)cc4)cc(S(C)(=O)=O)c3)ccnc2n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.34
SREBF2 Q12772 2/20 0.34
GAK O14976 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
ROCK1 Q13464 1/20 0.33
TGFBR1 P36897 10/20 0.33
SREBF1 P36956 1/20 0.33
MAP4K4 O95819 6/20 0.32
ANXA2 P07355 1/20 0.31
S100A10 P60903 1/20 0.31
KDR P35968 1/20 0.31
CYP2D6 P10635 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.30

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
SCHEMBL2963005 0.86 SREBF2 (0.36) SREBF2KDR
SCHEMBL2964082 0.76 SREBF2 (0.44) SREBF2
SCHEMBL2970865 0.75 SREBF2 (0.36) SREBF2
SCHEMBL2968573 0.71 SYK (0.40) SREBF2KDR
SCHEMBL2968113 0.68 KDM4E (0.35) SREBF2SREBF1
SCHEMBL15268008 0.67 KDM4E (0.37) SREBF2ROCK1SREBF1
SCHEMBL2965361 0.66 SREBF2 (0.44) SREBF2KDR
SCHEMBL2961153 0.66 SREBF2 (0.44) SREBF2
SCHEMBL17613404 0.66 IDO1 (0.39) SREBF2
SCHEMBL2961869 0.66 PIM1 (0.42) RIPK2SREBF2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed