SCHEMBL3717034

SCHEMBL3717034

CC(=O)c1ccc2nc(Oc3ccc(Oc4ccccn4)c(C)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.49
KCNH2 Q12809 6/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
PDE4B Q07343 3/20 0.49
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 2/20 0.38
SYK P43405 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PTGS2 P35354 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38

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
SCHEMBL3720433 1.00 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720071 0.84 PDE4B (0.49) SCN7AKCNH2PDE4BPPARGSMN1; SMN2
SCHEMBL13002435 0.82 SMN1; SMN2 (0.50) PDE4BSMN1; SMN2MEN1KMT2APDE4D
SCHEMBL3724307 0.82 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3717954 0.82 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720067 0.82 PDE4B (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3721868 0.82 PDE4B (0.48) SCN7AKCNH2PDE4BMEN1KMT2A
SCHEMBL3717955 0.81 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3724310 0.81 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720755 0.81 PDE4B (0.46) PDE4BPPARGSMN1; SMN2MEN1KMT2A

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed