SCHEMBL20101022

SCHEMBL20101022

C/C(=N\Nc1cccc(C)n1)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.65
KMT2A Q03164 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX12 P18054 1/20 0.53
GFER P55789 1/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HSP90AA1 P07900 3/20 0.49
POLB P06746 1/20 0.49
AGTR1 P30556 1/20 0.49

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 0.85 PAX8 (0.67) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL6715793 0.85 PAX8 (0.67) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL20101085 0.85 PAX8 (0.67) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL20101032 0.82 KDM4E (0.58) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL31238176 0.79 PAX8 (1.00) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL17987877 0.79 PAX8 (1.00) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL6756763 0.78 PAX8 (0.57) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL6756762 0.78 PAX8 (0.57) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL20101040 0.78 PAX8 (0.57) PAX8KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL19456445 0.78 PAX8 (0.69) PAX8KMT2ASMN1; SMN2NPC1MAPT

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