SCHEMBL24977245

SCHEMBL24977245

O=Cc1ccc2cc(C(=O)N3CCOCC3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
PLAUR Q03405 2/20 0.45
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ERN1 O75460 2/20 0.43
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 1/20 0.41

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
SCHEMBL31429075 1.00 HTR2C (0.49) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL31428677 0.86 HTR2C (0.53) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL31429035 0.83 HTR2C (0.53) HTR2CPLAURHPGDKDM4EFNTA
SCHEMBL31428738 0.81 HTR2C (0.40) HTR2CPLAURHPGDKDM4EFNTA
SCHEMBL31428478 0.76 HTR2C (0.51) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL24975807 0.76 HTR2C (0.51) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL31428698 0.75 HTR2C (0.50) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL24977244 0.75 HTR2C (0.50) HTR2CPLAURHPGDKDM4ENPC1
SCHEMBL31428758 0.72 PKM (0.50) HPGDNPC1RAB9AERN1SMN1; SMN2
SCHEMBL31428827 0.71 HTR2C (0.56) HTR2CHPGDKDM4ENPC1RAB9A

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