SCHEMBL8821071

SCHEMBL8821071

Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(=O)c3ccccc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
KIT P10721 4/20 0.66
MAPT P10636 4/20 0.66
RECQL P46063 3/20 0.66
MEN1 O00255 3/20 0.66
KDM4E B2RXH2 3/20 0.66
NR3C1 P04150 2/20 0.66
POLB P06746 2/20 0.66
RAB9A P51151 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
TLR3 O15455 1/20 0.66
PKM P14618 1/20 0.66
LIMK1 P53667 1/20 0.63
LIMK2 P53671 1/20 0.63
PDGFRA P16234 3/20 0.59
FGFR3 P22607 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58

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
SCHEMBL11837747 0.90 KIT (0.64) KMT2AKITMAPTRECQLMEN1
SCHEMBL10507648 0.86 KIT (0.73) KMT2AKITMAPTRECQLMEN1
Hydrochloric Acid SCHEMBL11068466 0.85 KIT (0.71) KMT2AKITMAPTRECQLMEN1
SCHEMBL11832110 0.83 KIT (0.69) KMT2AKITMAPTRECQLMEN1
SCHEMBL11831087 0.83 KIT (0.69) KMT2AKITMAPTRECQLMEN1
SCHEMBL11826831 0.83 KIT (0.64) KMT2AKITMAPTRECQLMEN1
SCHEMBL612787 0.82 LIMK1 (0.67) KMT2AKITMAPTRECQLMEN1
SCHEMBL11218842 0.82 KIT (0.56) KMT2AKITMAPTRECQLMEN1
SCHEMBL8821017 0.82 KIT (0.69) KMT2AKITMAPTRECQLMEN1
SCHEMBL9414046 0.81 KIT (0.65) KMT2AKITMAPTRECQLMEN1

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 2 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-3933827-A CYTOSTATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-01-20 US disclosed