SCHEMBL11527436

SCHEMBL11527436

CCCCNC(=O)C(C#N)=CNC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.37
DNM1 Q05193 5/20 0.33
EGFR P00533 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL11535930 0.81 GAA (0.40) SMN1; SMN2KDM4EALDH1A1ATMGAA
SCHEMBL11533860 0.80 TP53 (0.36) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL11532550 0.78 NAAA (0.36) LMNASMN1; SMN2KMT2AATMMEN1
SCHEMBL11530276 0.77 CYP2C9 (0.43) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL11530182 0.77 KMT2A (0.34) ALDH1A1KMT2AATMGAAPOLB
SCHEMBL11526282 0.76 L3MBTL1 (0.39) KMT2AATMMEN1GAAPOLB
SCHEMBL11527442 0.72 GAA (0.33) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL11529689 0.72 HTT (0.34) KMT2AATMGAAPOLBL3MBTL1
SCHEMBL11528816 0.71 RECQL (0.41) LMNAKDM4EALDH1A1KMT2AATM
SCHEMBL9152870 0.68 GAA (0.54) KMT2AMEN1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140673-A REACTING 4-AMINO-PIPERIDINES WITH ENOLIC ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed