SCHEMBL8909858

SCHEMBL8909858

CC1=C(C(=O)Oc2ccc([S+](C)[O-])cc2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8910285 0.84 PARP10 (0.44) MAPTKMT2A
SCHEMBL8910755 0.81 TSHR (0.33) MAPTKMT2A
SCHEMBL8148024 0.81 TDP2 (0.40) MAPTKMT2A
SCHEMBL8153452 0.80 LMNA (0.32) MAPT
SCHEMBL1388815 0.79 MAPT (0.44) MAPTKMT2A
SCHEMBL8155023 0.78 HTT (0.33) MAPTKMT2A
SCHEMBL8910407 0.78 BCHE (0.39) KMT2A
SCHEMBL8910147 0.78 LMNA (0.31) MAPT
SCHEMBL8540291 0.76 MYC (0.33) KMT2A
SCHEMBL8153428 0.75 TP53 (0.36) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
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