SCHEMBL3790265

SCHEMBL3790265

CCCC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.56
WNT3A P56704 3/20 0.56
HSD17B3 P37058 1/20 0.45
HPGD P15428 4/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TLK2 Q86UE8 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL3790268 0.88 CTNNB1 (0.72) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL12647585 0.88 CTNNB1 (0.51) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL15980124 0.85 CTNNB1 (0.60) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL5378003 0.85 CTNNB1 (0.63) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL15969237 0.84 CTNNB1 (0.79) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL5366165 0.83 CTNNB1 (0.54) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL15979985 0.82 CTNNB1 (0.60) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL15979919 0.82 CTNNB1 (0.60) CTNNB1WNT3AHPGDHDAC6SMN1; SMN2
SCHEMBL15980123 0.82 CTNNB1 (0.60) CTNNB1WNT3AHPGDSMN1; SMN2HTT
SCHEMBL15979927 0.82 CTNNB1 (0.56) CTNNB1WNT3AHPGDHDAC6ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 EP disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 WO disclosed