SCHEMBL7658801

SCHEMBL7658801

CC(=O)Nc1ccc(Cl)c2c1C(=O)C(=NO)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP3 P42574 1/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM1A O60341 1/20 0.32
HSP90AA1 P07900 2/20 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
SCHEMBL7653044 0.85 MAOA (0.38) KMT2AMEN1CA1CA2CA9
SCHEMBL7655842 0.84 CA1 (0.38) KMT2AMEN1CA1CA2CA9
SCHEMBL7652987 0.82 ALDH1A1 (0.36) KMT2AMEN1MAOAALDH1A1KDM4E
SCHEMBL30674497 0.82 MEN1 (0.34) KMT2AMEN1CA1CA2CA9
SCHEMBL29153537 0.82 MEN1 (0.34) KMT2AMEN1CA1CA2CA9
SCHEMBL30977209 0.82 MEN1 (0.34) KMT2AMEN1CA1CA2CA9
SCHEMBL29153539 0.82 MEN1 (0.34) KMT2AMEN1CA1CA2CA9
SCHEMBL7664305 0.79 CA1 (0.38) KMT2AMEN1CA1CA2CA9
SCHEMBL27218964 0.79 MEN1 (0.34) KMT2AMEN1CA1CA2CA9
Potassium Ion SCHEMBL29084677 0.77 MEN1 (0.36) KMT2AMEN1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 US disclosed
EP-0495432-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1996-05-29 EP disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed