SCHEMBL8040463

SCHEMBL8040463

Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 4/20 0.47
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.41
PABPC1 P11940 1/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 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
SCHEMBL8037118 1.00 CFB (0.50) CFBKMT2AALDH1A1KDM4EMEN1
SCHEMBL8037105 0.99 CFB (0.48) CFBKMT2AALDH1A1KDM4EMEN1
SCHEMBL8038950 0.84 KMT2A (0.48) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL8604373 0.80 HTR7 (0.38) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL8037080 0.76 HSD17B10 (0.38) KMT2AMEN1HSD17B10
SCHEMBL8604377 0.76 KDM4E (0.31) CFBKMT2AALDH1A1KDM4EMEN1
SCHEMBL7569263 0.73 GRIA1 (0.50)
SCHEMBL7567546 0.73 GRIA1 (0.50)
SCHEMBL7568799 0.71 GRIA1 (0.51)
SCHEMBL8634867 0.71 GRIN2D (0.44) HSD17B10

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-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed