SCHEMBL12856449

SCHEMBL12856449

CBc1cc(-c2nc3c(C)cc(Cl)cc3c(=O)o2)n(-c2ncccc2Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1762432 0.89 CYP17A1 (0.34) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL950938 0.89 CYP17A1 (0.34) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL25008237 0.87 OPRL1 (0.34) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL31060065 0.87 DHODH (0.33) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL950829 0.87 DHODH (0.35) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL29598524 0.87 DHODH (0.43) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL465839 0.87 DHODH (0.43) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL12529033 0.86 DHODH (0.32) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL950557 0.86 DHODH (0.33) DHODHCYP17A1CYP1A2ALDH1A1POLB
SCHEMBL951779 0.85 ALDH1A1 (0.33) DHODHCYP17A1CYP1A2ALDH1A1POLB

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
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 — — EP disclosed
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