SCHEMBL2563005

SCHEMBL2563005

CCOC(=O)/C=C/c1ccc(OC)c2oc3ccncc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
FDPS P14324 1/20 0.41
MAOB P27338 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
DPP4 P27487 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 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
SCHEMBL2556731 0.92 CCNC (0.42) CCNCCDK8FDPSMAOBCDK19
SCHEMBL7709222 0.86 SMN1; SMN2 (0.41) CCNCCDK8MAPTMEN1LMNA
SCHEMBL2562005 0.84 CCNC (0.42) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2562008 0.84 CCNC (0.42) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2563026 0.81 CCNC (0.40) CCNCCDK8CDK19DPP4NPC1
SCHEMBL2559731 0.79 CCNC (0.44) CCNCCDK8MAOBCDK19DPP4
SCHEMBL2559729 0.79 CCNC (0.44) CCNCCDK8MAOBCDK19DPP4
SCHEMBL2556718 0.79 CYP17A1 (0.39) MAPTLMNANPC1RAB9ACYP1A2
SCHEMBL2557440 0.78 CCNC (0.38) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2557438 0.78 CCNC (0.38) CCNCCDK8FDPSCDK19DPP4

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-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed