SCHEMBL839094

SCHEMBL839094

CN1C(=O)CC(C)(C)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL838930 0.84
SCHEMBL17548166 0.74 KDM4E (0.34) KDM4ELMNACYP2C19
SCHEMBL15116226 0.63
SCHEMBL8903859 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8902159 0.63 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL761687 0.63 MEN1 (0.39) KDM4EALDH1A1CYP19A1
SCHEMBL13686223 0.62 KDM4E (0.54) KDM4ELMNACYP2C19CHRM2CHRM3
SCHEMBL8903780 0.62 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2712615 0.61 CRBN (0.35)
SCHEMBL21151722 0.60 GRM5 (0.31)

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
US-8143241-B2 DNA damage repair inhibitors for treatment of cancer KUDOS PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed