SCHEMBL8285176

SCHEMBL8285176

Cc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.52
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL8285164 0.93 PDE11A (0.55) PDE11AKMT2AALDH1A1MAPTTSHR
SCHEMBL5871831 0.89 PDE11A (0.57) PDE11AKMT2AALDH1A1MAPTLMNA
SCHEMBL8286050 0.87 PDE11A (0.54) PDE11AKMT2AMAPTGAALMNA
SCHEMBL8286344 0.86 PDE11A (0.64) PDE11AKMT2AALDH1A1MAPTTSHR
SCHEMBL8285165 0.86 PDE11A (0.54) PDE11AKMT2AMAPT
SCHEMBL8285166 0.85 PDE11A (0.60) PDE11AKMT2AALDH1A1MAPTTSHR
SCHEMBL8286346 0.84 PDE11A (0.61) PDE11AKMT2AALDH1A1MAPTGAA
SCHEMBL8286342 0.83 PDE11A (0.60) PDE11AKMT2AALDH1A1MAPTGAA
SCHEMBL5872109 0.82 PDE11A (0.75) PDE11AALDH1A1MAPTGAAHPGD
SCHEMBL5871598 0.82 PDE11A (0.58) PDE11AKMT2AALDH1A1HPGDPOLB

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