SCHEMBL9799138

SCHEMBL9799138

O=C(O)COc1ccnc2cc(Cl)c(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HIF1A Q16665 1/20 0.45
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
PPARG P37231 1/20 0.43
CASP7 P55210 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
KMT2A Q03164 1/20 0.42
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41

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
SCHEMBL15309635 0.81 SRC (0.55)
SCHEMBL4299513 0.79 KDM4E (0.43) TDP1KDM4EALDH1A1HPGDHSD17B10
Bromide SCHEMBL2699120 0.78 KDM4E (0.42) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29878298 0.78 PKM (0.54) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL28659540 0.78 PKM (0.54) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL3984932 0.77 TDP1 (0.46) TDP1TSHRKDM4EHIF1ACYP2C19
SCHEMBL9379478 0.77 KDM4E (0.46) TDP1TSHRKDM4ECYP2C19MAPT
SCHEMBL2112736 0.76 KDM4E (0.58) TDP1KDM4EALDH1A1HPGDHSD17B10
Benzene SCHEMBL1532355 0.76 KDM4E (0.46) TDP1KDM4EALDH1A1HPGDPPARG
SCHEMBL29878429 0.75 MET (0.54) KDM4ENPSR1PTGDR2

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-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 US disclosed