SCHEMBL31413435

SCHEMBL31413435

COC(=O)c1ccc2nc(C3=CCC4(CC3)OCCO4)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALOX15 P16050 2/20 0.41
PDE4B Q07343 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
BTK Q06187 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL27143789 1.00 HTT (0.41) HTTALOX15PDE4BSUV39H2KDM4E
SCHEMBL4480745 0.81 SPR (0.43) SUV39H2KDM4EL3MBTL1BTKKMT2A
SCHEMBL2945528 0.78 IKBKE (0.41) ALOX15SUV39H2KDM4EALDH1A1IKBKE
SCHEMBL27359300 0.76 BTK (0.40) SUV39H2IKBKETBK1BTKKMT2A
SCHEMBL31413455 0.75 ALOX15 (0.43) HTTALOX15PDE4BKDM4EALDH1A1
SCHEMBL27138635 0.75 ALOX15 (0.43) HTTALOX15PDE4BKDM4EALDH1A1
SCHEMBL25190263 0.75 RAB9A (0.41) ALOX15SUV39H2KDM4EALDH1A1LMNA
SCHEMBL31413412 0.72 HTT (0.47) HTTALOX15PDE4BKDM4EALDH1A1
SCHEMBL27140082 0.72 HTT (0.47) HTTALOX15PDE4BKDM4EALDH1A1
SCHEMBL31413381 0.69 HTT (0.43) HTTALOX15PDE4BKDM4EALDH1A1

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