SCHEMBL31473144

SCHEMBL31473144

C[C@H]1C(=O)N(Cc2nc3ccccc3s2)[C@@H](COC(C)(C)C)C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31473132 0.79 HCRTR1 (0.45) HCRTR1HCRTR2KDM4E
SCHEMBL31473158 0.78 EHMT2 (0.40)
SCHEMBL31473150 0.76 HDAC1 (0.40) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31473148 0.74 BRD4 (0.33) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
SCHEMBL31473167 0.74 MAPT (0.38) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL31473141 0.70 CAPN1 (0.35)
SCHEMBL13314539 0.68 NPC1 (0.59) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL31473155 0.66 FSHR (0.31)
SCHEMBL745146 0.64 HCRTR1 (0.66) HCRTR1HCRTR2KMT2AMEN1NPC1
SCHEMBL751322 0.63 HCRTR1 (0.64) HCRTR1HCRTR2KMT2AMEN1LMNA

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-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed