SCHEMBL4753092

SCHEMBL4753092

CC(C)CN(CCCNC(=O)OC(C)(C)C)c1nc2cc3ccccc3cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
POLR1A O95602 3/20 0.41
MC4R P32245 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GNRHR P30968 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
BRD4 O60885 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BLM P54132 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL4753081 0.86 KIF11 (0.45) KIF11MC4RTDP1KDM4EKMT2A
SCHEMBL4750947 0.81 KIF11 (0.45) KIF11TDP1KDM4ENPSR1GNRHR
SCHEMBL5248649 0.81 KIF11 (0.45) KIF11MC4RGNRHRTLR7BRD4
SCHEMBL5250049 0.81 KIF11 (0.43) KIF11MC4RMAPTSMN1; SMN2NPSR1
SCHEMBL4752599 0.79 KIF11 (0.46) KIF11KDM4EKMT2AMEN1NPSR1
SCHEMBL4102093 0.79 KIF11 (0.46) KIF11POLR1ATDP1KDM4EKMT2A
SCHEMBL4753094 0.78 GNRHR (0.41) KIF11TDP1KDM4EKMT2AMEN1
SCHEMBL5754455 0.78 MAPT (0.43) KIF11MAPT
SCHEMBL5754170 0.76 KIF11 (0.43) KIF11TDP1KDM4ESMN1; SMN2BRD4
SCHEMBL4750941 0.74 TP53 (0.44) MAPTHTTALDH1A1

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-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed