SCHEMBL6829663

SCHEMBL6829663

O=Cc1cccc(C(=O)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 7/20 0.59
POLB P06746 2/20 0.54
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDR P35968 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
CNR2 P34972 1/20 0.47
NPY1R P25929 1/20 0.47

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
SCHEMBL6831237 0.87 TERT (0.58) TERTPOLBRAB9AKMT2ALMNA
SCHEMBL6831113 0.87 MAPT (0.62) TERTPOLBRAB9AKMT2ALMNA
SCHEMBL6925421 0.84 GRM4 (0.59) TERTPOLBRAB9AKMT2ALMNA
SCHEMBL7126167 0.80 RAB9A (0.54) TERTPOLBRAB9AKMT2ALMNA
SCHEMBL6829484 0.78 TERT (0.56) TERTPOLBRAB9AKMT2ALMNA
SCHEMBL22281464 0.77 TERT (0.53) TERTPOLB
SCHEMBL13550114 0.75 KMT2A (0.62) RAB9AKMT2AMEN1MAPTMAPK1
SCHEMBL6922934 0.75 TERT (1.00) TERTLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL6831133 0.75 TERT (0.58) TERTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL6829329 0.74 TERT (0.48) TERTPOLBRAB9AKMT2ANPC1

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed