SCHEMBL3722429

SCHEMBL3722429

C[C@H](O)c1ccccc1NCc1ccc(Cl)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDCD1LG2 Q9BQ51 4/20 0.34
CD274 Q9NZQ7 4/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
PDE9A O76083 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3719739 1.00 MAPT (0.36) MAPTKDM4EL3MBTL1GAACA12
SCHEMBL3719502 1.00 MAPT (0.36) MAPTKDM4EL3MBTL1GAACA12
SCHEMBL3719336 0.79 KDM4E (0.38) MAPTKDM4EL3MBTL1GAACD274
SCHEMBL3719504 0.75 CA12 (0.39) MAPTKDM4EL3MBTL1GAACA12
SCHEMBL3717464 0.72 AOC3 (0.35) PDCD1LG2CD274ADRB2ADRB1
SCHEMBL3717491 0.72 AOC3 (0.35) PDCD1LG2CD274ADRB2ADRB1
SCHEMBL10490374 0.71 HSD17B10 (0.50) MAPTKDM4EL3MBTL1KMT2AMEN1
SCHEMBL4950208 0.70 P2RX7 (0.46)
SCHEMBL22885900 0.70 PDCD1LG2 (0.37) MAPTKDM4EPDCD1LG2CD274KMT2A
SCHEMBL11152408 0.69 IDO1 (0.43) MAPTKDM4EL3MBTL1KMT2AMEN1

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-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed