SCHEMBL31475293

SCHEMBL31475293

NC(=O)c1ccccc1S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
HDAC8 Q9BY41 1/20 0.62
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 2/20 0.56
METAP2 P50579 1/20 0.52
BCAT2 O15382 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
GAA P10253 1/20 0.45
CTNNB1 P35222 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL477978 1.00 MAPT (0.62) MAPTHDAC8ALDH1A1KDM4ETSHR
Methane SCHEMBL28001772 0.98 MAPT (0.60) MAPTHDAC8ALDH1A1KDM4ETSHR
Hydrogen Sulfide SCHEMBL8218033 0.98 MAPT (0.60) MAPTHDAC8ALDH1A1KDM4ETSHR
SCHEMBL27914301 0.98 MAPT (0.60) MAPTHDAC8ALDH1A1KDM4ETSHR
SCHEMBL27896832 0.98 MAPT (0.60) MAPTHDAC8ALDH1A1KDM4ETSHR
SCHEMBL14890168 0.83 ALDH1A1 (0.66) MAPTHDAC8ALDH1A1KDM4ETSHR
Thiosalicylic Acid SCHEMBL28479129 0.81 MAPT (0.86) MAPTHDAC8ALDH1A1KDM4ETSHR
SCHEMBL29136545 0.81 MAPT (0.46) MAPTHDAC8ALDH1A1KDM4ETSHR
SCHEMBL39118 0.81 ALDH1A1 (0.70) MAPTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL4967588 0.81 ALDH1A1 (0.70) MAPTALDH1A1KDM4ETSHRHSD17B10

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-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed