SCHEMBL29475754

SCHEMBL29475754

CC(C)(C)c1ccc(CSc2cn[nH]c(=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
SCN9A Q15858 7/20 0.51
SCN5A Q14524 2/20 0.51
GRIN2C Q14957 1/20 0.51
EGFR P00533 1/20 0.44
MET P08581 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GPR183 P32249 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1722331 0.81 MAOA (0.50) DAOSCN9ARAB9ANPC1MEN1
SCHEMBL31180705 0.81 DAO (0.53) DAORAB9ANPC1MEN1KMT2A
SCHEMBL9234093 0.73 MEN1 (0.59) DAOSCN9ASCN5AGRIN2CEGFR
SCHEMBL9239310 0.73 NPC1 (0.59) DAOSCN9ASCN5AGRIN2CEGFR
SCHEMBL4716834 0.71 NOTUM (0.45) KMT2ATP53POLBSMN1; SMN2LMNA
SCHEMBL10448883 0.70 DAO (0.56) DAOSCN9ASCN5AGRIN2CEGFR
SCHEMBL13201294 0.69 ALDH1A1 (0.36) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL29497647 0.69 RAB9A (0.48) DAOSCN9ASCN5AGRIN2CEGFR
SCHEMBL6423398 0.69 TRPV1 (0.49) DAOSCN9ASCN5AGRIN2CLMNA
SCHEMBL13406684 0.67 TSHR (0.56) DAOSCN9ASCN5AGRIN2CRAB9A

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-112335666-B Plant sterilization composition, bactericide and application thereof 侨昌现代农业有限公司 2022-03-11 CN disclosed