SCHEMBL9868217

SCHEMBL9868217

CNS(=O)(=O)c1cc([C]=O)c2c(c1)CC(C)O2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
PARP1 P09874 5/20 0.35
PNMT P11086 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9868222 0.78 ALDH1A1 (0.40) BRD4PARP1PNMTL3MBTL1SMN1; SMN2
SCHEMBL9867437 0.77 PARP1 (0.45) BRD4PARP1TDP1
SCHEMBL9822735 0.76 PARP1 (0.44) BRD4PARP1PNMTTDP1
SCHEMBL10805966 0.66 DRD2 (0.40)
SCHEMBL10805978 0.66 POLR1A (0.37) BRD4PARP1
SCHEMBL10810657 0.64 PARP1 (0.42) PARP1PNMT
SCHEMBL16651796 0.64 BRD4 (0.51) BRD4PARP1
SCHEMBL9822840 0.62 PARP1 (0.46) BRD4PARP1TDP1
SCHEMBL10814991 0.61 BRD4 (0.48) BRD4PARP1TDP1
SCHEMBL10805809 0.60 PARP1 (0.47) PARP1

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-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed