SCHEMBL8137252

SCHEMBL8137252

CN1CCc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc3c2NC(=O)C3=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
TDO2 P48775 1/20 0.42
HPGD P15428 2/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
EGFR P00533 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8134400 0.96 POLB (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL8133737 0.89 EGFR (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL8135123 0.89 EGFR (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL8125776 0.88 EGFR (0.42) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL6609340 0.87 CASP3 (0.47) KMT2AMEN1HSD17B10KDM4EUSP2
SCHEMBL5103002 0.85 MEN1 (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL5103008 0.85 MEN1 (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL14287056 0.85 MEN1 (0.43) POLBKMT2AMEN1GAAHSD17B10
SCHEMBL8140122 0.82 HTR6 (0.39) GAAALDH1A1TSHRL3MBTL1
SCHEMBL8134085 0.82 LSS (0.46) POLBKMT2AMEN1GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US disclosed