SCHEMBL8910149

SCHEMBL8910149

CC1=C(C(=O)Oc2cccnc2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 2/20 0.41
TDP2 O95551 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL8148024 0.84 TDP2 (0.40) KMT2AMAPTMEN1TDP2POLB
SCHEMBL9434751 0.82 POLB (0.33) KMT2ATDP2POLB
SCHEMBL8910407 0.82 BCHE (0.39) KMT2A
SCHEMBL8155023 0.82 HTT (0.33) KMT2AMAPT
SCHEMBL8910285 0.82 PARP10 (0.44) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL8909858 0.80 MAPT (0.30) KMT2AMAPT
SCHEMBL8910147 0.80 LMNA (0.31) MAPTALDH1A1NPSR1LMNA
SCHEMBL8142537 0.79 MYC (0.34) KMT2AMAPTALDH1A1KDM4EUSP2
SCHEMBL8540291 0.78 MYC (0.33) KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8153428 0.76 TP53 (0.36) KMT2AMAPTMEN1ALDH1A1MAPK1

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 claimed
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