SCHEMBL3458796

SCHEMBL3458796

CC(C)(C)OC(=O)NNC(=O)CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
GAA P10253 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CTSK P43235 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7052487 0.84 APLNR (0.54) APLNRTDP1GAAMEN1KMT2A
SCHEMBL10087239 0.82 APLNR (0.53) APLNRTDP1GAAMEN1KMT2A
SCHEMBL14258516 0.82 APLNR (0.53) APLNRTDP1GAAMEN1KMT2A
SCHEMBL470134 0.82 APLNR (0.53) APLNRTDP1GAAMEN1KMT2A
SCHEMBL31626613 0.82 APLNR (0.53) APLNRTDP1GAAMEN1KMT2A
SCHEMBL15684322 0.81 APLNR (0.51) APLNRGAAMEN1KMT2AMAPK1
SCHEMBL19136211 0.81 APLNR (0.56) APLNRTDP1GAAMEN1KMT2A
SCHEMBL284141 0.80 APLNR (0.55) APLNRTDP1GAAMEN1KMT2A
SCHEMBL29139522 0.79 APLNR (0.50) APLNRTDP1GAAMEN1KMT2A
SCHEMBL27732646 0.79 APLNR (0.54) APLNRGAAMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010148300-A1 METHODS OF TREATMENT OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-12-23 WO disclosed
EP-1264836-B1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 2004-12-01 EP disclosed
EP-0760375-B1 ANTITUMOR INDOLOPYPROLOCARBAZOLE DERIVATIVE BANYU PHARMA CO LTD (JP) 2003-11-26 EP disclosed
EP-1264836-A1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-5922860-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5804564-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-08 US disclosed
US-5668271-A Indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-09-16 US disclosed
EP-0760375-A1 ANTITUMOR INDOLOPYPROLOCARBAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-05 EP disclosed
US-5591842-A ANTICARCINOGENIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed