SCHEMBL8287463

SCHEMBL8287463

Cc1cc(SCC(=O)Nc2ccccc2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8361765 0.91 GAA (0.45) SMN1; SMN2GAAKDM4EMAPK1ALDH1A1
SCHEMBL8286356 0.91 CYP3A4 (0.41) SMN1; SMN2USP2GAAMAPTKDM4E
SCHEMBL8286358 0.88 USP2 (0.46) SMN1; SMN2USP2KDM4EKMT2AALDH1A1
SCHEMBL8286357 0.87 ALDH1A1 (0.43) SMN1; SMN2USP2MAPTKDM4EKMT2A
SCHEMBL8286368 0.84 PDE11A (0.44) SMN1; SMN2GAAMAPTKDM4ELMNA
SCHEMBL8287419 0.83 PDE11A (0.51) SMN1; SMN2USP2GAAMAPTKDM4E
SCHEMBL8286548 0.83 SMN1; SMN2 (0.50) SMN1; SMN2USP2GAAMAPTKMT2A
SCHEMBL8286380 0.82 PDE11A (0.44) SMN1; SMN2GAAMAPTKDM4EKMT2A
SCHEMBL8287405 0.82 OPRK1 (0.53) SMN1; SMN2USP2GAAMAPTKDM4E
SCHEMBL8287417 0.81 HTT (0.47) SMN1; SMN2USP2MAPTKDM4ELMNA

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed