SCHEMBL11635995

SCHEMBL11635995

CCCCC(CC)Cn1c(C)cc(C)c(C(N)=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CA2 P00918 4/20 0.36
CA1 P00915 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 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
SCHEMBL4266944 0.89 BCL2L1 (0.38) BCL2L1KDM4ECA2CA1MAPT
SCHEMBL11637786 0.89 BCL2L1 (0.37) BCL2L1KDM4ECA2MAPTTP53
SCHEMBL11636904 0.86 TP53 (0.38) BCL2L1KDM4ECA2CA1MAPT
SCHEMBL11633973 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HSD17B10TSHR
SCHEMBL11635413 0.78 NPC1 (0.43) KDM4EMAPTALDH1A1MAPK1LMNA
SCHEMBL11637890 0.77 KDM4E (0.59) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL4271188 0.72 BCL2L1 (0.38) BCL2L1TP53LMNASMN1; SMN2
SCHEMBL11635261 0.72 ALDH1A1 (0.40) KDM4ECA2MAPTTP53ALDH1A1
SCHEMBL11241059 0.71 BCL2L1 (0.37) BCL2L1KDM4ECA2MAPTTP53
SCHEMBL9347629 0.70 CNR2 (0.46) KDM4EALDH1A1LMNASMN1; SMN2

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-4108630-A 1-Alkylpyrid-2-ones ROHM AND HAAS COMPANY (US) 1978-08-22 US disclosed
US-4038065-A 1-ALKYLPYRID-2-ONE ROHM AND HAAS COMPANY (US) 1977-07-26 US disclosed