SCHEMBL25939012

SCHEMBL25939012

CCOC(=O)c1c(CSC(=N)N)n(C)c2cc(OC3CCCCC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
GPR55 Q9Y2T6 3/20 0.54
PKM P14618 1/20 0.54
SMPD1 P17405 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
MAPK1 P28482 2/20 0.44
PLA2G1B P04054 1/20 0.44
UBE2N P61088 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 9/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL25938977 0.99 MAPT (0.55) MAPTKMT2AGPR55PKMSMPD1
SCHEMBL25949865 0.87 MAOA (0.46) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL25938875 0.86 MAPT (0.55) MAPTKMT2AGPR55PKMSMPD1
SCHEMBL25938946 0.86 MAPT (0.55) MAPTKMT2AGPR55PKMSMPD1
SCHEMBL25949813 0.86 ALOX5 (0.44) MAPTKMT2AGPR55PKMMEN1
SCHEMBL25942916 0.86 POLB (0.45) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL25938947 0.85 S1PR3 (0.44) MAPTKMT2AGPR55PKMMEN1
SCHEMBL25943291 0.85 MAOA (0.46) KMT2AMEN1LMNAKDM4EALOX5
SCHEMBL25943144 0.85 POLB (0.46) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL25943145 0.84 POLB (0.48) KMT2AMEN1LMNAKDM4EALOX5

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed