SCHEMBL9628950

SCHEMBL9628950

COc1cccc(N2C(=O)C3(CCCCO3)C(=O)c3cccnc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MGLL Q99685 1/20 0.38
KAT2B Q92831 1/20 0.37
NPC1 O15118 1/20 0.37
BCHE P06276 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADCY2 Q08462 1/20 0.35
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9629185 0.87 PGR (0.36) MAPTMGLLALDH1A1KDM4EADCY2
SCHEMBL9629039 0.85 EGLN1 (0.34) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9348232 0.83 MGLL (0.42) MAPTMGLLKAT2BNPC1BCHE
SCHEMBL9629835 0.82 EGLN1 (0.34) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9537511 0.81 PGR (0.41) MAPTKAT2BALDH1A1ADCY2KMT2A
SCHEMBL9628874 0.79 EGLN1 (0.36) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9352368 0.69 PGR (0.42) MAPTMGLLALDH1A1KDM4ECYP1A2
SCHEMBL10377268 0.69 CACNA2D1 (0.41) MAPTKAT2BNPC1BCHECYP1A2
SCHEMBL9348203 0.68 NPC1 (0.40) MAPTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL9348254 0.67 PGR (0.43) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP claimed
EP-0144996-B1 SUBSTITUTED SPIRO PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1990-02-28 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
EP-0228416-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES. SCHERING CORP (US) 1987-07-15 EP claimed
WO-1986007537-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1986-12-31 WO claimed
EP-0144996-A2 Substituted spiro pyridine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-06-19 EP claimed
EP-0144996-B1 SUBSTITUTED SPIRO PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1990-02-28 EP disclosed
US-4775524-A PSORIASIS SCHERING CORPORATION (US) 1988-10-04 US disclosed
US-4632923-A Substituted hetero spiro pyridine derivatives as anti-allergy and anti-inflammatory agents SCHERING CORPORATION (US) 1986-12-30 US disclosed
EP-0144996-A2 Substituted spiro pyridine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-06-19 EP disclosed