SCHEMBL11200306

SCHEMBL11200306

O=C1c2ccccc2C(=O)N1OCc1c[nH]nc1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.38
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3826355 0.75 TDP1 (0.34) ALDH1A1KDM4ETSHR
SCHEMBL11202722 0.75 IDO1 (0.38)
SCHEMBL3825796 0.72 MEN1 (0.31) KMT2AMEN1KDM4ETSHR
SCHEMBL9180692 0.72 CYP1A2 (0.33) CYP1A2
SCHEMBL9182082 0.71 TSHR (0.30) TSHR
SCHEMBL8818182 0.71 ALDH1A1 (0.41) ALDH1A1HTTKMT2AMEN1CYP1A2
SCHEMBL9181769 0.71 LMNA (0.36) ALDH1A1HPGD
SCHEMBL29367470 0.67 KMT2A (0.74) ALDH1A1HTTKMT2AMEN1CYP1A2
SCHEMBL6524461 0.67 KMT2A (0.74) ALDH1A1HTTKMT2AMEN1CYP1A2
SCHEMBL4267841 0.67 KMT2A (0.48) ALDH1A1HTTKMT2AMEN1CYP1A2

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
EP-0091130-A2 Cephalosporin derivatives, process for preparing and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1983-10-12 EP disclosed