SCHEMBL30804530

SCHEMBL30804530

C[Si](C)(C)CCOCn1c(=O)oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HPGD P15428 3/20 0.55
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
MIF P14174 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL31667435 0.82 MIF (0.53) TSHRALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL25337913 0.81 SIGMAR1 (0.45) TSHRHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14800038 0.81 MIF (0.44) TSHRHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18189848 0.81 NPC1 (0.52) TSHRHPGDMAPK1ALDH1A1NPSR1
SCHEMBL29520454 0.80 NPC1 (0.52) TSHRALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL30804514 0.80 KMO (0.56) HPGDALDH1A1NPSR1SMN1; SMN2POLB
SCHEMBL32686737 0.79 NPC1 (0.40) TSHRHPGDMAPK1ALDH1A1MIF
SCHEMBL32686754 0.79 NPC1 (0.43) ALDH1A1MIFNPC1
SCHEMBL29460879 0.79 NPC1 (0.42) NPC1
SCHEMBL16475228 0.79 NPC1 (0.42) NPC1

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-4583977-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
WO-2024052512-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO disclosed