SCHEMBL476971

SCHEMBL476971

CC(=O)NCc1cccc2c[nH]cc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.55
NPSR1 Q6W5P4 1/20 0.49
MTNR1A P48039 9/20 0.46
MTNR1B P49286 8/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SETDB1 Q15047 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ELANE P08246 1/20 0.40
P2RX7 Q99572 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
SCHEMBL5999001 0.81 NQO2 (0.62) NQO2NPSR1MTNR1AMEN1MAPT
SCHEMBL3886508 0.77 GABRA1 (0.41) MEN1MAPTKMT2A
SCHEMBL14204990 0.74 SETDB1 (0.59) NQO2NPSR1MTNR1AMTNR1BKMT2A
SCHEMBL27931462 0.74 ALDH1A1 (0.55) NQO2NPSR1MTNR1AMTNR1BMEN1
SCHEMBL10383768 0.74 NQO2 (0.54) NQO2NPSR1MTNR1AMTNR1BMEN1
SCHEMBL19463742 0.71 TDP1 (0.44) NPSR1MTNR1AMEN1MAPTKMT2A
SCHEMBL16136256 0.70 NPSR1 (0.47) NQO2NPSR1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL14651452 0.70 SETDB1 (0.54) NQO2NPSR1MTNR1AMTNR1BKMT2A
SCHEMBL24499204 0.69 RIPK1 (0.36)
SCHEMBL18255173 0.69 IAPP (0.56) NQO2NPSR1MTNR1AMTNR1BSETDB1

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