SCHEMBL25938947

SCHEMBL25938947

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(OC3CCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.44
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PKM P14618 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ACSL1 P33121 1/20 0.40
RAD52 P43351 1/20 0.39
ALOX5 P09917 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACACB O00763 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL25948964 0.88 S1PR3 (0.45) S1PR3POLBGAAMAPTKMT2A
SCHEMBL25938977 0.86 MAPT (0.55) S1PR3POLBGAAMAPTKMT2A
SCHEMBL25942916 0.86 POLB (0.45) S1PR3POLBGAAMAPTKMT2A
SCHEMBL25939012 0.85 MAPT (0.54) S1PR3POLBGAAMAPTKMT2A
SCHEMBL25938618 0.85 RAD52 (0.40) POLBGAAMAPTKMT2APKM
SCHEMBL25949865 0.85 MAOA (0.46) S1PR3POLBGAAKMT2AMAOA
SCHEMBL25943144 0.85 POLB (0.46) S1PR3POLBGAAKMT2AMAOA
SCHEMBL25938881 0.84 RAD52 (0.40) POLBGAAMAPTKMT2APKM
SCHEMBL25938835 0.84 RAD52 (0.40) POLBGAAMAPTKMT2APKM
SCHEMBL25943145 0.84 POLB (0.48) S1PR3POLBGAAKMT2AMAOA

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