SCHEMBL20101025

SCHEMBL20101025

C/C(=N\Nc1cc(Cl)ccn1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
OPRK1 P41145 5/20 0.64
MAPT P10636 4/20 0.64
HSP90AA1 P07900 3/20 0.64
HTT P42858 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
LMNA P02545 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GAA P10253 5/20 0.63
MEN1 O00255 5/20 0.63
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 1/20 0.63
ALOX12 P18054 1/20 0.63
GFER P55789 1/20 0.63
PAX8 Q06710 2/20 0.56
HKDC1 Q2TB90 1/20 0.53
NPC1 O15118 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
AGTR1 P30556 2/20 0.52

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
SCHEMBL6715790 0.84 PAX8 (0.67) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL6715793 0.84 PAX8 (0.67) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL20101085 0.84 PAX8 (0.67) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL31237795 0.81 KDM4E (0.68) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL21467818 0.78 MAPT (1.00) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL20101020 0.77 PAX8 (0.59) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL11483728 0.75 GRM4 (0.63) SMN1; SMN2MAPTNPSR1RAB9ANPC1
SCHEMBL14540616 0.74 KMT2A (0.75) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL28153216 0.74 KMT2A (0.75) KMT2ASMN1; SMN2OPRK1MAPTHSP90AA1
SCHEMBL10289446 0.74 KDM4E (0.52) KMT2ASMN1; SMN2MAPTHTTLMNA

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed