SCHEMBL28035914

SCHEMBL28035914

O=CC(=O)c1c2ccccc2cn1CC(O)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PLK1 P53350 6/20 0.32
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
DHFR P00374 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
ERN1 O75460 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28341398 0.87 CCNE2 (0.38) KMT2AALDH1A1MAPK1PLK1MAPT
SCHEMBL27926249 0.78 PTPN1 (0.34) ALDH1A1MAPK1TDP1CNR2ERN1
SCHEMBL27770330 0.77 CHRM1 (0.43) TP53CNR2LMNA
SCHEMBL27670405 0.76 CNR2 (0.34) CNR2
SCHEMBL27997552 0.76 CREBBP (0.38) ALDH1A1MAPK1TDP1KDM4ECNR2
SCHEMBL27951823 0.76 CNR2 (0.41) CNR2
SCHEMBL28054208 0.76 CNR2 (0.34) CNR2
SCHEMBL28826410 0.75 CNR2 (0.43) CNR2
SCHEMBL28818119 0.75 KDM4E (0.34) KMT2AALDH1A1MAPK1TDP1MAPT
SCHEMBL27799440 0.75 CNR2 (0.37) CNR2

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
CN-105085508-A Method for synthesizing rivaroxaban key intermediate UNIV PEKING FOUNDER GROUP CO 2015-11-25 CN disclosed