SCHEMBL20101085

SCHEMBL20101085

C/C(=N\Nc1ccccn1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.67
KMT2A Q03164 6/20 0.61
GAA P10253 6/20 0.61
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.61
MEN1 O00255 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 1/20 0.61
ALOX12 P18054 1/20 0.61
GFER P55789 1/20 0.61
KDM4E B2RXH2 3/20 0.58
HTT P42858 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TOP2A P11388 2/20 0.56
HSP90AA1 P07900 2/20 0.56
LMNA P02545 1/20 0.56
OPRK1 P41145 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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 1.00 PAX8 (0.67) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6715793 1.00 PAX8 (0.67) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL20101020 0.86 PAX8 (0.59) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL20101022 0.85 PAX8 (0.65) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL20101025 0.84 KMT2A (0.64) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL31237795 0.84 KDM4E (0.68) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL14540616 0.83 KMT2A (0.75) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL28153216 0.83 KMT2A (0.75) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL20101098 0.83 MAPT (0.73) PAX8KMT2AGAAMAPTSMN1; SMN2
SCHEMBL1973299 0.82 RAB9A (0.59) PAX8KMT2AGAAMAPTSMN1; SMN2

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