SCHEMBL8286402

SCHEMBL8286402

CCOC(=O)COc1cc(C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSF1R P07333 1/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
PDE11A Q9HCR9 1/20 0.41
KLK7 P49862 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8286366 0.91 PDE11A (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8286408 0.88 RAB9A (0.41) ALDH1A1KDM4ECYP1A2POLBCYP2C9
SCHEMBL8287417 0.88 HTT (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL8286418 0.84 LDHA (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8361761 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8286414 0.83 CSF1R (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8286379 0.83 PDE11A (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8286357 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8287532 0.83 PDE11A (0.51) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL8287832 0.82 PDE11A (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD

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