SCHEMBL25286295

SCHEMBL25286295

CCOC(=O)Cc1csc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL14445423 0.86 RPS6KB2 (0.45) LMNAKMT2AMAPK1ALDH1A1GAA
SCHEMBL14445422 0.79 PTPRC (0.41) LMNAKMT2AMAPK1ALDH1A1GAA
SCHEMBL18430485 0.77 NPC1 (0.51) LMNAKMT2AMAPK1ALDH1A1RAB9A
SCHEMBL13753721 0.77 PTPRC (0.41) LMNAMEN1KMT2AHTTMAPK1
SCHEMBL31078103 0.76 KAT2B (0.46) LMNAMEN1KMT2AHTTMAPK1
SCHEMBL6859778 0.74 GPR35 (0.51) LMNAMEN1KMT2AHTTMAPK1
SCHEMBL11537268 0.74 PTPRC (0.39) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL693608 0.73 PTPRC (0.45) KMT2AMAPK1ALDH1A1GAAMAPT
SCHEMBL398701 0.73 LMNA (0.73) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL11310051 0.73 LMNA (0.45) LMNAMEN1KMT2AHTTMAPK1

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
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed