SCHEMBL1258633

SCHEMBL1258633

Clc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.57
CCR5 P51681 3/20 0.57
CCR8 P51685 3/20 0.57
KDM4E B2RXH2 3/20 0.56
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TGFBR1 P36897 1/20 0.51
GRM5 P41594 7/20 0.49
MAP4K4 O95819 1/20 0.48
NPC1 O15118 3/20 0.45

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
SCHEMBL15024091 0.92 KDM4E (0.67) CCR1CCR5CCR8KDM4ETP53
SCHEMBL2989004 0.89 CTRC (0.50) CCR1CCR5CCR8L3MBTL1HTT
SCHEMBL4367769 0.89 KDM4E (0.62) CCR1CCR5CCR8KDM4ETP53
SCHEMBL31635769 0.89 KDM4E (0.62) CCR1CCR5CCR8KDM4ETP53
SCHEMBL1991845 0.87 KDM4E (0.64) CCR1CCR5CCR8KDM4ETP53
SCHEMBL29260547 0.87 CCR1 (0.70) CCR1CCR5CCR8KDM4ETP53
SCHEMBL699036 0.87 CCR1 (0.70) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30063905 0.87 CCR1 (0.70) CCR1CCR5CCR8KDM4ETP53
SCHEMBL31327467 0.85 KDM4E (0.67) CCR1CCR5CCR8KDM4ETP53
SCHEMBL1991759 0.84 KDM4E (0.56) CCR1CCR5CCR8KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019241873-A1 METAL CONTAINING PRODUCTS AND COMPOSITIONS TO INDUCE IMMUNOGENIC CELL DEATH AND USES THEREOF CUPROUS PHARMACEUTICALS INC. (CA) 2019-12-26 WO disclosed
US-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20110033776-A1 PROTON EXCHANGE MEMBRANES Board of regents of the Nevada System of Higher Education, on Behalf of the University of 2011-02-10 US disclosed
WO-2009142604-A1 POLYMER ENCAPSULATED PARTICLES AS SURFACE ENHANCED RAMAN SCATTERING PROBES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-11-26 WO disclosed