SCHEMBL25938652

SCHEMBL25938652

CCOC(=O)c1c(CNC(=N)N)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 4/20 0.49
GPR55 Q9Y2T6 1/20 0.49
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
PTGES O14684 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.42
P4HB P07237 1/20 0.42
HTT P42858 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
SCHEMBL25938557 0.85 KDM4E (0.52) RECQLMEN1KMT2ATSHRALDH1A1
SCHEMBL25938648 0.85 RECQL (0.60) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL25939236 0.85 NPSR1 (0.46) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL25938715 0.83 KMT2A (0.69) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL2883770 0.80 RECQL (0.62) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL28776310 0.78 RECQL (0.60) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL25938710 0.78 RECQL (0.60) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL2885250 0.77 MEN1 (0.74) RECQLMEN1KMT2AMAPTNPSR1
SCHEMBL25938616 0.77 KDM4E (0.44) MEN1KMT2AMAPTNPSR1GPR55
SCHEMBL2885256 0.76 RECQL (0.52) RECQLMEN1KMT2AMAPTNPSR1

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