SCHEMBL7654012

SCHEMBL7654012

CC(=O)Nc1ccc(C#N)c2c1C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 6/20 0.39
BAZ2B Q9UIF8 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAOA P21397 1/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
AR P10275 2/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
F11 P03951 1/20 0.34
CASP3 P42574 1/20 0.33
NPC1 O15118 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
SCHEMBL7652191 0.85 BAZ2B (0.44) MAPTALDH1A1BAZ2BGAAMAOA
SCHEMBL7653960 0.82 BAZ2B (0.42) MAPTALDH1A1BAZ2BGAAMEN1
SCHEMBL2967431 0.81 MEN1 (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7658479 0.80 BRD4 (0.41) MAPTALDH1A1BAZ2BGAAHTT
SCHEMBL7653318 0.80 BAZ2B (0.40) MAPTALDH1A1BAZ2BGAAMEN1
SCHEMBL9868010 0.78 NPSR1 (0.45) MAPTALDH1A1BAZ2BKMT2AHTT
SCHEMBL9404879 0.77 ALDH1A1 (0.36) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7652987 0.76 ALDH1A1 (0.36) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL22463090 0.76 L3MBTL1 (0.40) MAPTALDH1A1BAZ2BL3MBTL1MAOA
SCHEMBL29376104 0.76 L3MBTL1 (0.40) MAPTALDH1A1BAZ2BL3MBTL1MAOA

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