SCHEMBL21367124

SCHEMBL21367124

CCNCCNCCN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
KDM1A O60341 1/20 0.45
PRMT6 Q96LA8 2/20 0.42
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
CNR1 P21554 1/20 0.34
PGK1 P00558 2/20 0.34
PAOX Q6QHF9 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
SCHEMBL7730804 0.96 ACE2 (0.48) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL19071988 0.93 ACE2 (0.56) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL4395015 0.89 ACE2 (0.61) ACE2KDM1APRMT6CARM1PRMT8
SCHEMBL4783223 0.89 ACE2 (0.54) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL13660816 0.88 PRMT6 (0.43) ACE2KDM1APRMT6CARM1PRMT8
SCHEMBL16504283 0.87 ACE2 (0.50) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL13008045 0.87 ACE2 (0.50) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL22416389 0.84 ACE2 (0.52) ACE2KDM1APRMT6CARM1PRMT8
SCHEMBL14980630 0.83 ACE2 (0.63) ACE2KDM1APRMT6CYP2C19MEN1
SCHEMBL16920253 0.83 ACE2 (0.76) ACE2PRMT6CYP2C19MEN1GLA

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
WO-2019177902-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-19 WO disclosed