SCHEMBL8487553

SCHEMBL8487553

CCc1ncnc(N[C@H]2CC[C@@H](C3(C)CCCCC3)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CHRM4 P08173 4/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
EGFR P00533 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
BTK Q06187 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 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
SCHEMBL8767538 1.00 KDM4E (0.38) KDM4ECHRM4IRAK4EGFRCYP3A4
SCHEMBL8767636 0.99 KDM4E (0.39) KDM4ECHRM4IRAK4EGFRCYP3A4
SCHEMBL8485348 0.99 KDM4E (0.39) KDM4ECHRM4IRAK4EGFRCYP3A4
SCHEMBL8485612 0.94 KDM4E (0.38) KDM4ECHRM4IRAK4CYP3A4CYP2C9
SCHEMBL8767585 0.94 KDM4E (0.38) KDM4ECHRM4IRAK4CYP3A4CYP2C9
SCHEMBL8486654 0.86 KDM4E (0.38) KDM4EIRAK4EGFRCYP3A4LMNA
SCHEMBL8767783 0.84 KDM4E (0.39) KDM4EIRAK4EGFRCYP3A4PKM
SCHEMBL8488831 0.84 KDM4E (0.39) KDM4EIRAK4EGFRCYP3A4PKM
SCHEMBL8483242 0.79 KDM4E (0.38) KDM4EIRAK4MEN1
SCHEMBL8767928 0.79 KDM4E (0.38) KDM4EIRAK4MEN1

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-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed