SCHEMBL30835871

SCHEMBL30835871

Cc1noc(C)c1COc1cccc(C(=O)N(N)C(=O)c2ccc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 6/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 6/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL30835905 0.91 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835899 0.90 CYSLTR1 (0.45) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835894 0.89 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835886 0.89 ALDH1A1 (0.61) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL32676006 0.84 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835869 0.84 ALDH1A1 (0.62) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835880 0.83 ALDH1A1 (0.57) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30835860 0.81 ALDH1A1 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL32676015 0.78 HPGD (0.62) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL32676013 0.77 AKR1C3 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2MAPT

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