SCHEMBL9435000

SCHEMBL9435000

COC(=O)C1=Nc2cc3c(c(C)c2=C1C)N=c1ccccc1=3

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL9435018 0.85
SCHEMBL8148021 0.82 ESR1 (0.38) MAPTPOLBMEN1KMT2A
SCHEMBL8146059 0.82 TP53 (0.35) MEN1KMT2AALOX15
SCHEMBL8141067 0.82
SCHEMBL8147980 0.82
SCHEMBL8155848 0.81 PDE1C (0.36) MAPTMEN1KMT2A
SCHEMBL8153451 0.81
SCHEMBL8154899 0.75 MAOB (0.44) MAPTPOLBMEN1KMT2A
SCHEMBL9434365 0.74 FGB (0.42) MAPTKMT2ATSHRKDM4E
SCHEMBL9434368 0.74 SMN1; SMN2 (0.36) MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed