SCHEMBL476970

SCHEMBL476970

NC(=O)CCc1cccc2c[nH]cc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MPO P05164 5/20 0.49
CAPN1 P07384 1/20 0.45
TLR8 Q9NR97 1/20 0.39
PARP1 P09874 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
SLC6A4 P31645 1/20 0.35
CDYL Q9Y232 1/20 0.35

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
SCHEMBL19463742 0.83 TDP1 (0.44) MTNR1ALMNAMEN1KMT2A
SCHEMBL961507 0.81 MTNR1A (0.63) MTNR1AMPOKDM4EMEN1KMT2A
SCHEMBL5159102 0.79 MEN1 (0.60) MTNR1ATLR8PARP1MEN1KMT2A
SCHEMBL3886508 0.74 GABRA1 (0.41) LMNAKDM4EMEN1KMT2A
SCHEMBL6871577 0.74 PNMT (0.39) MTNR1A
SCHEMBL9321175 0.73 MTNR1A (0.47) MTNR1AMPOCAPN1EGFRSRC
SCHEMBL27448488 0.72 MEN1 (0.35) MTNR1AMPOMEN1KMT2AGPR84
SCHEMBL1284856 0.72 MTNR1A (0.62) MTNR1AMPOTLR8MEN1KMT2A
SCHEMBL7316097 0.72 PARP1 (0.50) MTNR1AMPOCAPN1PARP1EGFR
SCHEMBL7536240 0.71 TLR8 (0.43) TLR8

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-2411506-A1 TUMOR SUPPRESSION USING HUMAN PLACENTA-DERIVED INTERMEDIATE NATURAL KILLER CELLS AND IMMUNOMODULATORY COMPOUNDS Anthrogenesis Corporation (US) 2012-02-01 EP disclosed