SCHEMBL11637262

SCHEMBL11637262

CCCCC(CC)Cn1c(C)ccc(C#N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.40
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
PPARG P37231 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL8796572 0.87 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11637890 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11635261 0.76 ALDH1A1 (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4266313 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11635537 0.72 PRSS1 (0.42) ALDH1A1MAPTMAPK1TP53KMT2A
SCHEMBL10891158 0.68 KDM4E (0.64) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL19375695 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL26750153 0.68 KDM4E (0.44) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL20626383 0.68 TP53 (0.43) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11241059 0.68 BCL2L1 (0.37) KDM4EALDH1A1HPGDGAAMAPT

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