SCHEMBL15325536

SCHEMBL15325536

Bc1cncc(NC(=O)CC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CLK2 P49760 4/20 0.40
CLK3 P49761 4/20 0.40
DYRK1A Q13627 4/20 0.40
ADORA2A P29274 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
WNT1 P04628 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12515439 0.82 HPGDS (0.46) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL12011608 0.81 HDAC4 (0.48) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL18474684 0.79 TP53 (0.49) HPGDMEN1KMT2ARAB9AMAPT
SCHEMBL22648436 0.79 KMT2A (0.46) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL22648403 0.78 RAB9A (0.51) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL18475187 0.78 PARP1 (0.43) MAPTAAK1L3MBTL1
SCHEMBL1947815 0.75 HPGD (0.62) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL12313962 0.75 NAMPT (0.48) CA1
SCHEMBL19169876 0.73 HDAC3 (0.60) HPGDMEN1KMT2ARAB9AGAA
SCHEMBL23518443 0.72 RAB9A (0.76) HPGDMEN1KMT2ARAB9AGAA

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-2013151708-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2013-10-10 WO disclosed