SCHEMBL9434331

SCHEMBL9434331

CC1=C(C(=O)OCc2ccccc2)N=c2cc3c(c(C)c21)=c1cccc(F)c1=N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 3/20 0.33
STAT1 P42224 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL8910758 0.76 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL8909720 0.76 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL1388713 0.76 TDP1 (0.40) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL8911745 0.74 MAPT (0.36) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL8911173 0.73 TDP1 (0.39) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL8909595 0.72 DHODH (0.38) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL8909637 0.72 TDP1 (0.40) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL26773019 0.67 ALDH1A1 (0.59) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL1388453 0.66 TDP1 (0.35) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL25633566 0.65 RAB9A (0.52) TDP1KMT2ASLC6A2SLC6A3MAPT

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
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