SCHEMBL31413488

SCHEMBL31413488

COC(=O)c1ccc2nc(C3CCC(=O)CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 5/20 0.41
PDE4B Q07343 1/20 0.41
LCK P06239 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PTPN11 Q06124 1/20 0.39
LMNA P02545 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL27139933 1.00 HTT (0.48) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL27143488 0.86 ALOX15 (0.44) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL31413422 0.86 ALOX15 (0.44) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL16016025 0.84 NPC1 (0.47) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL16016027 0.84 NPC1 (0.47) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL31413467 0.80 ALOX15 (0.43) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL27143721 0.80 ALOX15 (0.43) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL31413455 0.80 ALOX15 (0.43) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL27138635 0.80 ALOX15 (0.43) HTTALOX15NPC1RAB9AHSP90AA1
SCHEMBL31413479 0.79 HTT (0.47) HTTALOX15NPC1RAB9AHSP90AA1

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
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed