SCHEMBL7756741

SCHEMBL7756741

O=C(Cl)OCc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
ALDH1A1 P00352 2/20 0.48
PNMT P11086 1/20 0.48
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL4607557 0.87 IDO1 (0.58) IDO1ALDH1A1PNMTMMP1MMP2
SCHEMBL2345808 0.87 IDO1 (0.58) IDO1ALDH1A1PNMTMMP1MMP2
SCHEMBL140814 0.85 ALDH1A1 (0.57) IDO1ALDH1A1MMP1MMP2MMP9
SCHEMBL13034147 0.84 IDO1 (0.55) IDO1ALDH1A1PNMTMMP1MMP2
SCHEMBL722953 0.84 IDO1 (0.59) IDO1ALDH1A1PNMTMMP1MMP2
SCHEMBL7083017 0.82 IDO1 (0.53) IDO1PNMTMMP1MMP2MMP9
SCHEMBL7088966 0.82 IDO1 (0.53) IDO1PNMTMMP1MMP2MMP9
SCHEMBL23293689 0.81 IDO1 (0.51) IDO1ALDH1A1PNMTMMP1MMP2
Sirmate SCHEMBL1879856 0.80 IDO1 (0.50) IDO1ALDH1A1PNMTMMP1MMP2
Sirmate SCHEMBL30131182 0.80 IDO1 (0.50) IDO1ALDH1A1PNMTMMP1MMP2

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-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed