SCHEMBL5750249

SCHEMBL5750249

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC=O)cn2C)cn1C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 7/20 0.66
ESR1 P03372 7/20 0.66
ESR2 Q92731 7/20 0.66
TOP1 P11387 2/20 0.66
KDM4E B2RXH2 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.65
HIF1A Q16665 1/20 0.65
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
PRKCA P17252 3/20 0.46
PARP1 P09874 1/20 0.40
NAMPT P43490 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5750357 0.95 HRAS (0.58) HRASESR1ESR2TOP1KDM4E
SCHEMBL1841396 0.92 HRAS (0.57) HRASESR1ESR2TOP1KDM4E
SCHEMBL1842807 0.92 HRAS (0.57) HRASESR1ESR2TOP1KDM4E
SCHEMBL1842079 0.89 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL1842682 0.89 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL1842273 0.89 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL5447288 0.87 HDAC1 (0.56) HRASESR1ESR2TOP1KDM4E
SCHEMBL1840563 0.86 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
SCHEMBL18089498 0.85 HDAC1 (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL2398688 0.85 HDAC1 (0.54) HRASESR1ESR2TOP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed