SCHEMBL8797003

SCHEMBL8797003

CCOC(=O)C1=Nc2c3c(cc(C)c2=C1C)=c1ccccc1=N3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
FGB P02675 1/20 0.33
GAA P10253 4/20 0.33

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
SCHEMBL9435000 0.70 MAPT (0.32) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL8796993 0.69
SCHEMBL8153451 0.69
SCHEMBL8155848 0.69 PDE1C (0.36) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL1388444 0.69 FGB (0.38) TSHRSMN1; SMN2MAPTLMNAHSP90AA1
SCHEMBL9434368 0.68 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAHSP90AA1HTT
SCHEMBL9434365 0.68 FGB (0.42) TSHRSMN1; SMN2MAPTLMNAHSP90AA1
SCHEMBL9434910 0.68 HRH3 (0.37) TSHRSMN1; SMN2MAPTLMNAHSP90AA1
SCHEMBL8797852 0.67 NPC1 (0.31) SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9434110 0.66 SMN1; SMN2 (0.36) TSHRSMN1; SMN2MAPTLMNAHSP90AA1

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
EP-0769012-A1 TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-23 EP disclosed
WO-1996001827-A1 TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 WO disclosed