SCHEMBL8821079

SCHEMBL8821079

COC(C)C(=O)Oc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.68
RECQL P46063 3/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPT P10636 3/20 0.68
RAB9A P51151 3/20 0.68
MEN1 O00255 2/20 0.68
NR3C1 P04150 2/20 0.68
POLB P06746 2/20 0.68
KMT2A Q03164 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
TLR3 O15455 1/20 0.68
PKM P14618 1/20 0.68
PDGFRA P16234 2/20 0.58
FGFR3 P22607 2/20 0.58
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL11831087 0.91 KIT (0.69) KITRECQLKDM4EMAPTRAB9A
SCHEMBL10507648 0.85 KIT (0.73) KITRECQLKDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL11068466 0.84 KIT (0.71) KITRECQLKDM4EMAPTRAB9A
Lactic Acid SCHEMBL8427098 0.83 KIT (0.80) KITRECQLKDM4EMAPTRAB9A
SCHEMBL8821017 0.83 KIT (0.69) KITRECQLKDM4EMAPTRAB9A
SCHEMBL11832110 0.82 KIT (0.69) KITRECQLKDM4EMAPTRAB9A
SCHEMBL1005968 0.81 KIT (1.00) KITRECQLKDM4EMAPTRAB9A
SCHEMBL8821071 0.81 KMT2A (0.66) KITRECQLKDM4EMAPTRAB9A
SCHEMBL9414046 0.80 KIT (0.65) KITRECQLKDM4EMAPTRAB9A
SCHEMBL11837747 0.79 KIT (0.64) KITRECQLKDM4EMAPTRAB9A

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
WO-1997046559-A1 PROCESS FOR PREPARING 9-HYDROXYELLIPTICINE TANABE SEIYAKU CO., LTD. (JP) 1997-12-11 WO disclosed
US-5605904-A ANTITUMOR AGENTS; ANTICARCINOGENIC AGENTS; FEWER SIDE EFFECTS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US disclosed
US-5565569-A ANTITUMOR AGENT TANABE SEIYAKU CO., LTD. (JP) 1996-10-15 US disclosed
EP-0608876-A1 Ellipticine derivatives with antitumour activity TANABE SEIYAKU CO., LTD. (JP) 1994-08-03 EP disclosed