SCHEMBL8559680

SCHEMBL8559680

COC(=O)c1cc2ccc(C)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC1 Q13547 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
PAK4 O96013 1/20 0.42
AKT1 P31749 1/20 0.42
PLK1 P53350 1/20 0.42
BACE1 P56817 1/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8563062 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL25237575 0.84 MAPT (0.49) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL31207848 0.84 MAPT (0.49) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL31207826 0.84 HPGD (0.48) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL26111289 0.84 HPGD (0.48) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL26109992 0.83 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL31207862 0.83 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL20168500 0.83 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL30597783 0.83 ALDH1A1 (0.47) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL30059745 0.81 MAPT (0.44) CSNK2A1KDRALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed