SCHEMBL13152142

SCHEMBL13152142

CCCn1c(-c2ccc(NC(=O)OC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.41
ADORA2A P29274 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DYRK1A Q13627 2/20 0.40
MTNR1B P49286 4/20 0.39
MTNR1A P48039 3/20 0.39
PDE5A O76074 1/20 0.39
ADORA1 P30542 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KCNQ2 O43526 1/20 0.37
PLA2G2A P14555 1/20 0.37
PDE4A P27815 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL10250706 0.93 MTNR1B (0.47) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13152778 0.92 SMN1; SMN2 (0.43) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13152684 0.92 ALDH1A1 (0.40) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13152223 0.91 NPC1 (0.50) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13152749 0.90 NPC1 (0.39) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13153261 0.89 MTNR1B (0.49) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL10097506 0.88 ROCK2 (0.41) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13151937 0.87 PKM (0.42) ADORA2BADORA2ANPC1RAB9AMEN1
SCHEMBL13152699 0.86 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2AMTNR1B
SCHEMBL10254338 0.86 PKM (0.44) NPC1RAB9AMTNR1BLMNAPOLB

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed