SCHEMBL30835880

SCHEMBL30835880

Cc1noc(C)c1COc1cccc(C(=O)N(N)C(=O)c2cccc(C(F)(F)F)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 6/20 0.50
HPGD P15428 5/20 0.50
LMNA P02545 4/20 0.50
ALOX15 P16050 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 4/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.46
RAC1 P63000 1/20 0.46
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL30835860 0.85 ALDH1A1 (0.56) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL32676011 0.85 ALDH1A1 (0.65) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30835871 0.83 ALDH1A1 (0.55) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30835886 0.82 ALDH1A1 (0.61) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL31217534 0.75 ALDH1A1 (0.70) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30165933 0.74 GAA (0.72) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL28588209 0.74 GAA (0.72) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30835905 0.74 ALDH1A1 (0.44) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30835899 0.73 CYSLTR1 (0.45) ALDH1A1TSHRHPGDLMNAALOX15
SCHEMBL30835894 0.73 ALDH1A1 (0.43) ALDH1A1TSHRHPGDLMNAALOX15

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