SCHEMBL8910285

SCHEMBL8910285

CC1=C(C(=O)Oc2ccc(C(N)=O)cc2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.44
HGFAC Q04756 1/20 0.36
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PRSS1 P07477 3/20 0.33
ACR P10323 2/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PARP2 Q9UGN5 2/20 0.32
PARP4 Q9UKK3 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PARP1 P09874 1/20 0.32
KMT2A Q03164 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TMPRSS15 P98073 1/20 0.32
PARP15 Q460N3 2/20 0.31
PARP14 Q460N5 2/20 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
SCHEMBL8540291 0.85 MYC (0.33) KMT2AALDH1A1
SCHEMBL8909858 0.84 MAPT (0.30) MAPTKMT2A
SCHEMBL8910755 0.82 TSHR (0.33) MAPTKDM4EPOLBKMT2AGAA
SCHEMBL8148024 0.82 TDP2 (0.40) MAPTPOLBKMT2A
SCHEMBL9057850 0.81 MYC (0.36)
SCHEMBL8910407 0.80 BCHE (0.39) KMT2AF2
SCHEMBL8910147 0.80 LMNA (0.31) MAPTALDH1A1
SCHEMBL8153428 0.76 TP53 (0.36) MAPTPOLBKMT2AALDH1A1
SCHEMBL8146061 0.76 TP53 (0.37) MAPTPOLBKMT2AALDH1A1HPGD
SCHEMBL8141070 0.75 CHRNA7 (0.32)

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
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US 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