SCHEMBL8914154

SCHEMBL8914154

CCCCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CCC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 10/20 0.52
RXFP1 Q9HBX9 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
BRD4 O60885 2/20 0.48
BRD2 P25440 2/20 0.48
BRD3 Q15059 2/20 0.48
BRDT Q58F21 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL9853392 0.89 MEN1 (0.53) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL7320101 0.88 MEN1 (0.52) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL19066322 0.79 RXFP1 (0.59) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL19066314 0.79 MEN1 (0.65) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL5093687 0.79 HPGD (0.54) NPSR1GAAALDH1A1POLBRAB9A
SCHEMBL19090458 0.75 ALDH1A1 (0.55) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL9298051 0.73 ALDH1A1 (0.47) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL11401591 0.72 MEN1 (0.81) MEN1KMT2AALDH1A1RXFP1POLB
SCHEMBL23255226 0.71 TSHR (0.56) MEN1KMT2ANPSR1ALDH1A1RXFP1
SCHEMBL11394726 0.71 MEN1 (0.80) MEN1KMT2AALDH1A1RXFP1POLB

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-0564461-B1 THE USE OF ANTIBODIES TO TNF OR FRAGMENTS DERIVED THEREOF AND XANTHINE DERIVATIVES FOR COMBINATION THERAPY AND COMPOSITIONS THEREFOR CELLTECH THERAPEUTICS LTD (GB) 1997-01-02 EP claimed