SCHEMBL21768015

SCHEMBL21768015

CC(C)c1cnccn1.C[Se]C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.34
CYP2D6 P10635 3/20 0.33
HRH1 P35367 3/20 0.33
KCNH2 Q12809 2/20 0.33
CHRM1 P11229 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31
VNN1 O95497 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30

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
SCHEMBL681871 0.93
SCHEMBL29738290 0.93
SCHEMBL28136030 0.86 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSP90AA1LMNA
SCHEMBL16972758 0.78 ATM (0.39) SMN1; SMN2KDM4EALDH1A1ATMCYP2D6
SCHEMBL20733950 0.74
SCHEMBL20738688 0.74
SCHEMBL21515931 0.74
SCHEMBL978914 0.74
SCHEMBL7382265 0.74
SCHEMBL9963353 0.74 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1HSP90AA1LMNA

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
EP-3615638-A1 PROCESS FOR CRYOGENIC FLUID ODORISATION Arkema France (FR) 2020-03-04 EP claimed