SCHEMBL31093993

SCHEMBL31093993

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.41
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
SENP1 Q9P0U3 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL2569788 1.00 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2569790 1.00 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7487409 1.00 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2570024 0.94 RXFP1 (0.42) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2570027 0.94 RXFP1 (0.42) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL479532 0.92 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL479529 0.92 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2573466 0.92 KMT2A (0.39) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2573463 0.92 KMT2A (0.39) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3155366 0.91 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2MAPT

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-112004527-B Inhalable liposome sustained release compositions for treating pulmonary diseases 盈擘生技股份有限公司 2024-09-24 CN disclosed