SCHEMBL20101040

SCHEMBL20101040

C/C(=N\Nc1nc(C)cc(C)n1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.57
GAA P10253 6/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALOX12 P18054 1/20 0.55
GFER P55789 1/20 0.55
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
LMNA P02545 3/20 0.54
HSP90AA1 P07900 1/20 0.53
OPRK1 P41145 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL6756762 1.00 PAX8 (0.57) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6756763 1.00 PAX8 (0.57) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL20101041 0.82 SMN1; SMN2 (0.74) GAAKMT2ASMN1; SMN2MAPTHTT
SCHEMBL20101022 0.78 PAX8 (0.65) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6715790 0.76 PAX8 (0.67) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL28153216 0.76 KMT2A (0.75) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL20101085 0.76 PAX8 (0.67) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6715793 0.76 PAX8 (0.67) PAX8GAAKMT2ASMN1; SMN2MAPT
SCHEMBL14540616 0.76 KMT2A (0.75) PAX8GAAKMT2ASMN1; SMN2MAPT
Ferimzone SCHEMBL674026 0.76 LMNA (0.56) GAAKMT2ASMN1; SMN2MAPTHTT

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