SCHEMBL7433845

SCHEMBL7433845

NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
REN P00797 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PIN1 Q13526 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7433838 1.00 KDM4E (0.45) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL2295759 0.89 KMT2A (0.49) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL7301131 0.89 KMT2A (0.49) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL5709588 0.89 KMT2A (0.49) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL11981992 0.88 REN (0.48) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL13840602 0.88 REN (0.48) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL421814 0.87 REN (0.48) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL13839332 0.87 REN (0.48) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL22546510 0.86 KMT2A (0.46) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL6664333 0.84 KMT2A (0.55) KDM4EKMT2AALDH1A1MEN1TSHR

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed