SCHEMBL25948938

SCHEMBL25948938

CCOC(=O)c1c(CSC=N)n(C)c2cc(C3=CCCCCC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL25942810 0.90 ALOX5 (0.41) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942835 0.88 MAPT (0.52) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942831 0.87 ALDH1A1 (0.42) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25938883 0.87 MAPT (0.53) ALOX5KMT2AMEN1ALOX15MAPT
SCHEMBL25942832 0.86 TSHR (0.43) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942630 0.86 TSHR (0.43) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942763 0.86 KDM4E (0.43) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942676 0.85 TSHR (0.41) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25942764 0.85 TSHR (0.41) ALOX5KMT2AMEN1ALOX15TSHR
SCHEMBL25949415 0.83 HDAC2 (0.39) ALOX5KMT2AMEN1ALOX15TSHR

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