SCHEMBL7468868

SCHEMBL7468868

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.33
TOP2A P11388 1/20 0.31
EZH2 Q15910 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL1951621 0.76 HPGD (0.40) LMNAALDH1A1TSHRKDM4EHPGD
SCHEMBL7466628 0.75 CSNK2A1 (0.42) CSNK2A1LMNAALDH1A1MEN1KMT2A
SCHEMBL7466768 0.74 CSNK2A1 (0.53) CSNK2A1LMNAMEN1KMT2ARORC
SCHEMBL20766244 0.71 FFAR4 (0.41) CSNK2A1LMNAMEN1KMT2ATSHR
SCHEMBL30523628 0.71 FFAR4 (0.41) CSNK2A1LMNAMEN1KMT2ATSHR
SCHEMBL20766479 0.69 MEN1 (0.39) CSNK2A1LMNAMEN1KMT2A
SCHEMBL20778670 0.69 HTR2A (0.38) ALDH1A1KMT2A
SCHEMBL10950968 0.66 CYP3A4 (0.38)
SCHEMBL3941466 0.66 POLB (0.50) KMT2AKDM4EGAA
SCHEMBL1568684 0.65 PNMT (0.50) ALDH1A1KMT2AKDM4E

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