SCHEMBL14306830

SCHEMBL14306830

COC(=O)CN1CCCC(N)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DPP4 P27487 1/20 0.34
BCHE P06276 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTPN11 Q06124 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL14306821 0.90 SMN1; SMN2 (0.45) SMN1; SMN2POLBMEN1KMT2AHRH2
SCHEMBL2925781 0.84 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29042818 0.84 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29307351 0.83 ALDH1A1 (0.36) KDM4EHPGDALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2925780 0.83 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12226495 0.81 HRH2 (0.37) KDM4EL3MBTL1HPGDALDH1A1MEN1
SCHEMBL12226502 0.81 HRH2 (0.37) KDM4EL3MBTL1HPGDALDH1A1MEN1
SCHEMBL7575787 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1006794 0.79 KDM4E (0.42) POLBKDM4EL3MBTL1HPGDALDH1A1
SCHEMBL29307370 0.79 HSD17B10 (0.38) SMN1; SMN2KDM4EL3MBTL1HPGDALDH1A1

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-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed