SCHEMBL9845812

SCHEMBL9845812

O=C(O)CCCN1C(=O)CSc2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
CHRM1 P11229 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 4/20 0.40
USP2 O75604 1/20 0.39
REN P00797 2/20 0.39
THRB P10828 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9850726 0.92 NPSR1 (0.50) KMT2AMEN1GAACHRM1NPSR1
SCHEMBL9845834 0.84 NPSR1 (0.53) GAANPSR1MAPTALDH1A1MAPK1
SCHEMBL4095906 0.83 ALDH1A1 (0.39) KMT2AMEN1GAACHRM1NPSR1
SCHEMBL9850703 0.81 ALDH1A1 (0.46) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL9850715 0.80 NPSR1 (0.48) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL9845852 0.78 NPSR1 (0.41) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL7269755 0.73 MEN1 (0.63) KMT2AMEN1CHRM1NPSR1MAPT
SCHEMBL19456927 0.72 MEN1 (0.62) KMT2AMEN1GAANPSR1MAPT
SCHEMBL3085058 0.69 KMT2A (0.88) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL30808610 0.69 KMO (0.58) KMT2AMEN1NPSR1MAPTALDH1A1

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-0445467-A1 Renin inhibitors and antiviral agents Beecham Group p.l.c. (GB) 1991-09-11 EP disclosed