SCHEMBL31347243

SCHEMBL31347243

CC(C)(C)[Si](C)(C)NS(=O)(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
PABPC1 P11940 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
JAK1 P23458 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GFER P55789 1/20 0.35
AGTR1 P30556 1/20 0.34
GPR27 Q9NS67 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
MEP1B Q16820 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL19994876 0.78 KMT2A (0.51) IDO1KMT2AMEN1TDP1ALDH1A1
SCHEMBL29498627 0.78 KMT2A (0.51) IDO1KMT2AMEN1TDP1ALDH1A1
SCHEMBL20692331 0.77 SOS1 (0.37) KMT2AMEN1PABPC1GFER
SCHEMBL3017872 0.76 LMNA (0.49) IDO1KMT2AMEN1TDP1ALDH1A1
SCHEMBL25387423 0.76 EDNRB (0.50) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL30562770 0.76 EDNRB (0.50) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL22013636 0.75 NMT1 (0.52) PPARGKMT2AJAK1CYP3A4CYP2C9
SCHEMBL29130981 0.73 CA1 (0.47) IDO1PPARGKMT2AMEN1TDP1
SCHEMBL21971206 0.73 GAA (0.52) KMT2AMEN1TDP1ALDH1A1CYP3A4
SCHEMBL31444289 0.72 IDO1 (0.44) IDO1PPARGKMT2ATDP1ALDH1A1

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-2025021189-A1 OXYGEN-CONTAINING FUSED TRICYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2025-01-30 WO disclosed