SCHEMBL7653044

SCHEMBL7653044

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CASP3 P42574 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 5/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
AHR P35869 1/20 0.32
MAOB P27338 1/20 0.32
KDR P35968 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
SCHEMBL7655842 0.85 CA1 (0.38) MAOAALDH1A1HPGDCASP3KDM4E
SCHEMBL7658801 0.85 KMT2A (0.39) MAOAALDH1A1HPGDCASP3KDM4E
SCHEMBL7652987 0.83 ALDH1A1 (0.36) MAOAALDH1A1HPGDCASP3KDM4E
SCHEMBL29153537 0.78 MEN1 (0.34) MAOAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL30977209 0.78 MEN1 (0.34) MAOAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL29153539 0.78 MEN1 (0.34) MAOAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL30674497 0.78 MEN1 (0.34) MAOAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL26276091 0.78 CA1 (0.34) MAOACA1CA2CA9
SCHEMBL7653367 0.77 MAOA (0.48) MAOAALDH1A1HPGDCASP3KDM4E
SCHEMBL24728326 0.76 CA1 (0.35) MAOAKMT2AMEN1CA1CA2

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