SCHEMBL10099692

SCHEMBL10099692

ClCc1nc2ccccc2n1CCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
CNR2 P34972 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL3599686 0.80 LMNA (0.68) MAPTLMNANPSR1TDP1CASP1
SCHEMBL30897352 0.80 LMNA (0.68) MAPTLMNANPSR1TDP1CASP1
SCHEMBL5551592 0.78 LMNA (0.62) MAPTLMNANPSR1TDP1CASP1
SCHEMBL30897395 0.78 LMNA (0.65) MAPTLMNANPSR1TDP1CASP1
SCHEMBL6873842 0.78 LMNA (0.65) MAPTLMNANPSR1TDP1CASP1
Hydrochloric Acid SCHEMBL8011144 0.77 LMNA (0.71) MAPTLMNANPSR1TDP1CASP1
SCHEMBL21855769 0.77 HSD17B10 (0.68) MAPTLMNANPSR1TDP1CASP1
SCHEMBL6873837 0.77 LMNA (0.64) MAPTLMNANPSR1TDP1CASP1
SCHEMBL3059715 0.76 MEN1 (0.64) MAPTLMNATDP1HSD17B10L3MBTL1
SCHEMBL6529824 0.76 LMNA (0.62) MAPTLMNANPSR1TDP1CASP1

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-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed