SCHEMBL25939770

SCHEMBL25939770

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(OC3CCCC3)c(-c3cccc4ccccc34)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 3/20 0.37
GPR55 Q9Y2T6 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
P4HB P07237 1/20 0.37
CASP3 P42574 2/20 0.36
RAD52 P43351 1/20 0.36
ALOX5 P09917 4/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.35
SPR P35270 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ACSL1 P33121 1/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL25939726 0.97 TSHR (0.39) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25948972 0.91 TSHR (0.39) TSHRKMT2AMAPTPKMKDM4E
SCHEMBL25947610 0.89 TSHR (0.42) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25947609 0.89 TSHR (0.36) TSHRKMT2AMAPTKDM4EP4HB
SCHEMBL25939768 0.88 MAPT (0.46) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25939844 0.88 PKM (0.40) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25939712 0.86 TSHR (0.39) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25939754 0.86 CASP3 (0.39) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25939889 0.86 PKM (0.41) TSHRKMT2AMAPTGPR55PKM
SCHEMBL25947077 0.86 TSHR (0.44) TSHRKMT2AMAPTGPR55PKM

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