SCHEMBL24533665

SCHEMBL24533665

CC1CC(C)CN(c2ncnc3c2cnn3-c2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.78
RAB9A P51151 8/20 0.78
ALDH1A1 P00352 7/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
HPGD P15428 4/20 0.78
MAPT P10636 9/20 0.77
HTT P42858 1/20 0.77
MAPK1 P28482 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.60
TP53 P04637 3/20 0.59
ATM Q13315 1/20 0.59
SLC2A1 P11166 4/20 0.58
SLC2A2 P11168 4/20 0.58
SLC2A3 P11169 4/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL24533636 0.88 NPC1 (0.79) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL24533662 0.87 MAPT (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL24533664 0.86 RAB9A (0.76) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL29618261 0.79 MAPT (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL21568696 0.79 MAPT (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL7658416 0.78 MAPT (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2628836 0.74 SLC2A1 (0.77) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2628843 0.74 MAPT (0.80) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6706131 0.73 MAPT (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13390339 0.73 MAPT (0.67) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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-2022133237-A2 METHODS OF TREATING NEURODEGENERATIVE DISORDERS AND STAT3-LINKED CANCERS USING SUPPRESSORS OF ELECTRON LEAK CORNELL UNIVERSITY (US) 2022-06-23 WO disclosed