SCHEMBL9434825

SCHEMBL9434825

CC1=c2c(cc3c(c2C)N=c2ccc(Cl)cc2=3)N=C1C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
GPBAR1 Q8TDU6 5/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GCGR P47871 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 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
SCHEMBL1388443 0.89 DHODH (0.38) DHODHPOLBKMT2ANPSR1L3MBTL1
SCHEMBL9212581 0.88 DHODH (0.38) DHODHPOLBKMT2AL3MBTL1ALDH1A1
SCHEMBL1388453 0.80 TDP1 (0.35) POLBKMT2ANPSR1L3MBTL1ALDH1A1
SCHEMBL9434910 0.77 HRH3 (0.37) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9434110 0.73 SMN1; SMN2 (0.36) POLBNPSR1L3MBTL1ALDH1A1HTT
SCHEMBL7966221 0.73 TDP1 (0.38) POLBKMT2ANPSR1L3MBTL1ALDH1A1
SCHEMBL8911745 0.72 MAPT (0.36) DHODHGPBAR1POLBKMT2ANPSR1
SCHEMBL1388444 0.68 FGB (0.38) POLBKMT2AMEN1NPSR1ALDH1A1
SCHEMBL8363373 0.68 TDP1 (0.38) POLBKMT2ANPSR1L3MBTL1ALDH1A1
SCHEMBL20831012 0.67 ALDH1A1 (0.55) DHODHGPBAR1POLBKMT2AMEN1

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