SCHEMBL9404879

SCHEMBL9404879

CC(=O)Nc1ccc(C#N)c2c1C(=O)CCS2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.34
GAA P10253 3/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.32
CASP3 P42574 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CXCR2 P25025 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9404925 0.81 POLB (0.41) ALDH1A1GAAMAOAKDM4EHPGD
SCHEMBL7664272 0.81 ALDH1A1 (0.39) ALDH1A1GAAMAOAMEN1KMT2A
SCHEMBL7657838 0.80 ALDH1A1 (0.38) ALDH1A1GAAMAOAMEN1KMT2A
SCHEMBL7653076 0.80 HDAC1 (0.38) ALDH1A1GAAMAOAMEN1KMT2A
SCHEMBL9404941 0.78 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL7654012 0.77 MAPT (0.41) ALDH1A1HTTGAAMAOAMEN1
SCHEMBL9404931 0.77 MAOA (0.33) ALDH1A1GAAMAOAKDM4EHPGD
SCHEMBL9404817 0.76 MAPT (0.43) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL7661312 0.76 HDAC1 (0.38) ALDH1A1GAAMAOAMEN1KMT2A
SCHEMBL9404799 0.74 THRB (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed