SCHEMBL8911173

SCHEMBL8911173

CC1=C(C(=O)OCc2ccccc2)N=c2cc3c(c(C)c21)=Nc1c(C)cccc1-3

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RAB9A P51151 8/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
STAT1 P42224 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
FFAR1 O14842 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL1388713 0.88 TDP1 (0.40) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8910758 0.81 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8909595 0.81 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8909720 0.81 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8909637 0.81 TDP1 (0.40) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8155106 0.74 MAOB (0.43) TDP1KMT2ARAB9AMAPTPOLB
SCHEMBL8150300 0.74 MAPK1 (0.33) MAPK1
SCHEMBL9434331 0.73 TDP1 (0.36) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8910217 0.72 TDP1 (0.44) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL8141669 0.72 MAPK1 (0.32) MAPK1

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
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