SCHEMBL30835905

SCHEMBL30835905

CCc1onc(C)c1COc1cccc(C(=O)N(N)C(=O)c2ccc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYSLTR1 Q9Y271 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 1/20 0.42
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 5/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 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
SCHEMBL30835894 0.93 ALDH1A1 (0.43) ALDH1A1CYSLTR1GPBAR1HPGDLMNA
SCHEMBL30835871 0.91 ALDH1A1 (0.55) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL30835899 0.87 CYSLTR1 (0.45) ALDH1A1CYSLTR1GPBAR1HPGDLMNA
SCHEMBL32676007 0.85 ALDH1A1 (0.51) ALDH1A1CYSLTR1GPBAR1HPGDLMNA
SCHEMBL30835886 0.79 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL32676014 0.79 ALDH1A1 (0.49) ALDH1A1CYSLTR1GPBAR1HPGDLMNA
SCHEMBL30835909 0.77 LMNA (0.46) ALDH1A1CYSLTR1GPBAR1HPGDLMNA
SCHEMBL32676006 0.75 ALDH1A1 (0.63) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL30835869 0.74 ALDH1A1 (0.62) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL30835880 0.74 ALDH1A1 (0.57) ALDH1A1HPGDLMNAMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572758-A1 PROTEIN:PROTEIN INTERACTION INHIBITORS Purdue Research Foundation (US) 2025-06-25 EP disclosed
WO-2024039864-A1 PROTEIN:PROTEIN INTERACTION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2024-02-22 WO disclosed