SCHEMBL9033878

SCHEMBL9033878

COc1c(N(OCc2ccccc2)[C@H]2CC[C@@H](c3ccccc3)CC2)ccnc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TRPV6 Q9H1D0 2/20 0.33
GRM2 Q14416 1/20 0.33
RPLP1 P05386 1/20 0.32
RPLP0 P05388 1/20 0.32
RPS17 P08708 1/20 0.32
RPSA P08865 1/20 0.32
RPS2 P15880 1/20 0.32
RPL35A P18077 1/20 0.32
RPL7 P18124 1/20 0.32
RPL17 P18621 1/20 0.32
RPS4Y1 P22090 1/20 0.32
RPS3 P23396 1/20 0.32
RPS12 P25398 1/20 0.32
RPL13 P26373 1/20 0.32
RPL10 P27635 1/20 0.32
RPL12 P30050 1/20 0.32
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 1/20 0.32
RPL22 P35268 1/20 0.32
RPL4 P36578 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
SCHEMBL9033920 0.91 TP53 (0.35)
SCHEMBL8840417 0.88 GRM2 (0.34) KDM4ETRPV6GRM2OPRM1HTR1A
SCHEMBL9035774 0.88 KDM4E (0.35) KDM4ETRPV6GRM2OPRM1HTR1A
SCHEMBL9034028 0.86 USP2 (0.34)
SCHEMBL9033980 0.84
SCHEMBL9034932 0.83
SCHEMBL8840443 0.83 L3MBTL1 (0.33) GRM2
SCHEMBL9032962 0.82 USP2 (0.31)
SCHEMBL9035748 0.82 C5AR1 (0.35) PDE10A
SCHEMBL8840380 0.81 KDM4E (0.34) KDM4EOPRM1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed