SCHEMBL8619487

SCHEMBL8619487

CCC(C)OP(=O)(O)CNc1ccc2ccccc2c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
NCEH1 Q6PIU2 1/20 0.37
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR3 P29371 3/20 0.32
TACR2 P21452 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MCHR1 Q99705 1/20 0.31
ELANE P08246 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
SCHEMBL8623672 0.82 KDM4E (0.38) KDM4ENCEH1HPGDLMNACA12
SCHEMBL8617767 0.82 HSP90AA1 (0.42) KDM4ENCEH1HPGDLMNAKMT2A
SCHEMBL8624756 0.81 KDM4E (0.36) KDM4ENCEH1HPGDLMNACA12
SCHEMBL7355150 0.78 CA12 (0.43) KDM4ENCEH1HPGDLMNACA12
SCHEMBL8621618 0.78 KDM4E (0.35) KDM4ENCEH1HPGDLMNACA12
SCHEMBL8617884 0.78 ACP3 (0.36) KDM4ENCEH1CA12CA2MMP2
SCHEMBL8619480 0.75 HPGD (0.49) KDM4ENCEH1HPGDLMNAKMT2A
SCHEMBL2116381 0.74 PPARG (0.34) KDM4EHPGDLMNAKMT2AL3MBTL1
SCHEMBL7920418 0.74 HDAC1 (0.38) KDM4EHPGDCA14ALDH1A1NPC1
SCHEMBL2116896 0.73 FDPS (0.35) KDM4EHPGDLMNAKMT2AL3MBTL1

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed