SCHEMBL7410841

SCHEMBL7410841

CCOc1cc2c(cc1OCC)C(c1ccccc1Cl)=NN=C(C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PDE10A Q9Y233 1/20 0.38
HPGD P15428 1/20 0.37
MAPK10 P53779 5/20 0.37
MAPK14 Q16539 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
PKM P14618 1/20 0.35
RAD52 P43351 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
GAA P10253 1/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL7444355 0.87 MAPT (0.55) MAPTLMNAHTTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL7433736 0.86 MAPT (0.54) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL9429649 0.79 CCNE2 (0.42) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL7442033 0.77 PKM (0.45) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL10889292 0.77 MAPT (0.59) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL10893573 0.76 CYP3A4 (0.45) MAPTLMNASMN1; SMN2MAPK10GAA
SCHEMBL10886665 0.73 PKM (0.61) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL10886129 0.73 CYP1A2 (0.45) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL10887865 0.72 CYP1A2 (0.46) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL7410880 0.71 PDGFRB (0.49) MAPTLMNAHTTSMN1; SMN2NPSR1

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
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO claimed
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO disclosed