SCHEMBL30454848

SCHEMBL30454848

CC(C)n1nccc1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CTSK P43235 4/20 0.46
KMT2A Q03164 2/20 0.44
NR3C2 P08235 1/20 0.43
POLB P06746 1/20 0.38
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL19350402 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1CTSKKMT2ANR3C2
SCHEMBL17278351 0.77 HPGD (0.48) ALDH1A1L3MBTL1CTSKKMT2AKCNJ6
SCHEMBL3268236 0.77 KMT2A (0.57) ALDH1A1CTSKKMT2APOLBMAPK1
SCHEMBL14577136 0.76 L3MBTL1 (0.45) ALDH1A1L3MBTL1CTSKKMT2ANR3C2
SCHEMBL23252604 0.76 L3MBTL1 (0.39) ALDH1A1L3MBTL1CTSKKMT2ANR3C2
SCHEMBL14576642 0.75 EPHX1 (0.53) ALDH1A1KMT2AHPGD
SCHEMBL30095747 0.75 L3MBTL1 (0.44) L3MBTL1CTSKKMT2ANR3C2POLB
SCHEMBL14946486 0.74 L3MBTL1 (0.43) ALDH1A1L3MBTL1CTSKKMT2ANR3C2
SCHEMBL262347 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1NR3C2POLBHPGD
SCHEMBL3766193 0.73 RAB9A (0.48) ALDH1A1L3MBTL1CTSKKMT2APOLB

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-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed