SCHEMBL7966221

SCHEMBL7966221

CC1=c2c(cc3c(c2C)C=C(C(=O)OCc2ccccc2)N=3)N=C1C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 4/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
RAB9A P51151 7/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.34
GAA P10253 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
SCHEMBL8363373 0.95 TDP1 (0.38) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL8911745 0.74 MAPT (0.36) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL1388443 0.73 DHODH (0.38) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL9434825 0.73 DHODH (0.38) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL1388453 0.72 TDP1 (0.35) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL9212581 0.72 DHODH (0.38) TDP1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL4933057 0.62 TDP1 (0.62) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL17965761 0.62 TDP1 (0.61) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL20348533 0.61 TDP1 (0.56) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL5481683 0.61 TDP1 (0.47) TDP1MAPTL3MBTL1KMT2ASLC6A2

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
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US claimed