SCHEMBL30995083

SCHEMBL30995083

CC(=O)SCc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H3 Q13133 3/20 0.36
RXRA P19793 2/20 0.36
NR1H2 P55055 2/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SRD5A1 P18405 4/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL8018111 0.81 PAX8 (0.55) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL16197281 0.80 PAX8 (0.50) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL7531272 0.80 PAX8 (0.50) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL25960281 0.79 PAX8 (0.49) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL13674397 0.79 PAX8 (0.49) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL16856539 0.79 PAX8 (0.49) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL14090333 0.79 PAX8 (0.49) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL27621553 0.78 ALDH1A1 (0.47) PAX8BRD4CREBBPNR1H3RXRA
SCHEMBL4615305 0.78 NR1H4 (0.56) PAX8BRD4CREBBPRAB9AMEN1
SCHEMBL23092452 0.77 SLC6A4 (0.48) PAX8BRD4IDO1RAB9AMEN1

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
WO-2024156288-A1 DNMT1 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SHANGHAI KYGENT PHARMACEUTICAL CO., LTD (CN) 2024-08-02 WO disclosed