SCHEMBL26818554

SCHEMBL26818554

Cc1ncnc(C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.44
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NOTUM Q6P988 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
DGAT1 O75907 2/20 0.39
MCL1 Q07820 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
PAX8 Q06710 1/20 0.36
NOD2 Q9HC29 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERBB2 P04626 1/20 0.36
DRD1 P21728 2/20 0.36
TYR P14679 1/20 0.35

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
SCHEMBL9045150 0.81 ADK (0.47) ADKRAB9ANPC1NOTUMTP53
SCHEMBL19479287 0.77 KMT2A (0.44) ADKRAB9ANPC1NOTUMNPSR1
SCHEMBL21180006 0.76 MCL1 (0.41) ADKRAB9ANPC1NOTUMTP53
SCHEMBL14189297 0.75 LMNA (0.44) TP53MEN1KMT2A
SCHEMBL15698799 0.74 DRD1 (0.42) RAB9ANPC1NOTUMTP53SMN1; SMN2
SCHEMBL26828219 0.74 DRD1 (0.33) DRD1
SCHEMBL9891389 0.73 IKBKB (0.46) ADKRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15667459 0.73 SENP1 (0.54) RAB9ANPC1TP53KDM4EHPGD
SCHEMBL197335 0.72 KIF11 (0.52) RAB9ANPC1NOTUMTP53NPSR1
SCHEMBL24912795 0.72 AKT2 (0.61) RAB9ANPC1NOTUMTP53NPSR1

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-2023227734-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-30 WO disclosed