SCHEMBL7981295

SCHEMBL7981295

OSc1nc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.48
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPY5R Q15761 1/20 0.39
DHODH Q02127 3/20 0.39
PARP1 P09874 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL1170898 0.78 DHODH (0.54) CNR2CNR1ALDH1A1DHODHPARP1
SCHEMBL31027957 0.76 DHODH (0.59) CNR2ALDH1A1DHODHPARP1
SCHEMBL8081766 0.75 NUDT1 (0.59) CNR2CNR1ALDH1A1DHODHMETAP2
SCHEMBL10696507 0.75 CNR2 (0.49) CNR2CNR1ALDH1A1DHODHPARP1
SCHEMBL2010618 0.75 CNR2 (0.48) CNR2CNR1NPY5RDHODHPARP1
SCHEMBL7146754 0.75 DHODH (0.62) CNR2ALDH1A1DHODHPARP1
SCHEMBL9306889 0.75 NPC1 (0.50) CNR2CNR1NPY5RDHODHMETAP2
SCHEMBL7981298 0.74 MAP4K4 (0.38) ALDH1A1
SCHEMBL14958588 0.74 CNR2 (0.52) CNR2CNR1TDP1NPY5RDHODH
SCHEMBL230979 0.73 DHODH (0.53) CNR2DHODHPARP1

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-6326408-B1 FORMING MAGNA FINANCIERE LEA S.A.R.L. (FR) 2001-12-04 US disclosed