SCHEMBL24975640

SCHEMBL24975640

O=Cc1cc(CN2CCOCC2=O)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NCF1 P14598 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
ELANE P08246 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 2/20 0.38
GCK P35557 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MOK Q9UQ07 5/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL31428545 1.00 GRM2 (0.40) GRM2SMN1; SMN2ALDH1A1NCF1KDM4E
SCHEMBL24975491 0.83 NCF1 (0.54) SMN1; SMN2ALDH1A1NCF1KDM4EGAA
SCHEMBL31428486 0.83 NCF1 (0.54) SMN1; SMN2ALDH1A1NCF1KDM4EGAA
SCHEMBL24976095 0.82 MOK (0.53) SMN1; SMN2ALDH1A1KDM4EGAAHPGD
SCHEMBL31428686 0.82 MOK (0.53) SMN1; SMN2ALDH1A1KDM4EGAAHPGD
SCHEMBL31428647 0.77 MAPT (0.40) GRM2SMN1; SMN2ALDH1A1KDM4EPKM
SCHEMBL5093473 0.74 NCF1 (0.64) SMN1; SMN2ALDH1A1NCF1KDM4EGAA
SCHEMBL1553262 0.71 L3MBTL1 (0.54) ELANEHPGDMEN1KMT2ATSHR
SCHEMBL31428429 0.70 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EGAAHPGD
SCHEMBL3996399 0.69 BCHE (0.55) SMN1; SMN2ALDH1A1KDM4EMAPTRAB9A

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
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed