SCHEMBL7466768

SCHEMBL7466768

CC(C)Oc1ccc(CN)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.53
PNMT P11086 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC1 P19801 2/20 0.34
AOC3 Q16853 2/20 0.34
RORC P51449 1/20 0.34
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BPTF Q12830 1/20 0.33
KAT2B Q92831 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
TOP2A P11388 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
SCHEMBL7466628 0.83 CSNK2A1 (0.42) CSNK2A1MEN1LMNAKMT2ARORC
SCHEMBL6490259 0.76 CSNK2A1 (0.56) CSNK2A1NOS3NOS1MEN1LMNA
SCHEMBL855754 0.75 IRAK4 (0.47) CSNK2A1PNMTNOS3NOS1IRAK4
SCHEMBL29786441 0.75 IRAK4 (0.47) CSNK2A1PNMTNOS3NOS1IRAK4
SCHEMBL7468868 0.74 CSNK2A1 (0.36) CSNK2A1MEN1LMNAKMT2ARORC
SCHEMBL30139653 0.72 CSNK2A1 (0.59) CSNK2A1PNMTNOS3NOS1MEN1
SCHEMBL12697235 0.70 NOS3 (0.50) CSNK2A1NOS3NOS1LMNAPOLB
SCHEMBL2452287 0.70 PNMT (0.36) PNMTBPTFKAT2BPDCD1LG2CD274
SCHEMBL4390974 0.69 CSNK2A1 (0.47) CSNK2A1NOS3NOS1IRAK4
SCHEMBL16954261 0.69 ADRB3 (0.39) CSNK2A1MEN1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891336-B1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AG (DE) 2002-06-05 EP disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed