SCHEMBL9195459

SCHEMBL9195459

CC(C)NC(=O)ON1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSK P43235 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
SCHEMBL28135695 0.76 ALDH1A1 (0.43) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL29035793 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD
SCHEMBL28151606 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL910451 0.73 LIPE (0.53) SMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL1257515 0.73 ALDH1A1 (0.42) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL25669794 0.73 HRH3 (0.50) SMN1; SMN2PKMALDH1A1KMT2AHPGD
SCHEMBL2960234 0.72 ALDH1A1 (0.41) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL28066960 0.72 ALDH1A1 (0.41) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL27621125 0.72 ALDH1A1 (0.36) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL9194931 0.71 HTT (0.45) SMN1; SMN2ALDH1A1KMT2AMAPTHPGD

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
EP-0471983-B1 Process for the N-alkylation of urea CHEMIE LINZ GMBH (AT) 1995-03-22 EP disclosed
EP-0471983-A1 Process for the N-alkylation of urea Chemie Linz GmbH (AT) 1992-02-26 EP disclosed