SCHEMBL11569738

SCHEMBL11569738

O=C1CCC(=O)N1Sc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
BCHE P06276 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP19A1 P11511 7/20 0.34
CYP11B1 P15538 6/20 0.34
CYP11B2 P19099 6/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL812586 0.78 MAPT (0.52) MEN1KMT2ADDB1CRBNMAPT
SCHEMBL11090245 0.75 CRBN (0.39) MEN1KMT2ADDB1CRBNMAPT
SCHEMBL28539505 0.75 ALDH1A1 (0.38) CRBNMAPTALDH1A1HSD17B10NPC1
SCHEMBL7337733 0.75 CRBN (0.39) MEN1KMT2ADDB1CRBNMAPT
SCHEMBL31599173 0.73 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10USP2
SCHEMBL5796177 0.71 POLB (0.55) MEN1KMT2ADDB1CRBNMAPT
SCHEMBL28894449 0.71 ALDH1A1 (0.41) MEN1KMT2ADDB1CRBNMAPT
SCHEMBL28536947 0.71 DDB1 (0.43) MEN1KMT2ADDB1CRBNALDH1A1
SCHEMBL28544519 0.69 PARL (0.51) MEN1KMT2ACRBNMAPTALDH1A1
SCHEMBL11266599 0.67 BCHE (0.58) MEN1KMT2ABCHEALDH1A1USP2

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-0005914-A1 Chemical process for the preparation of beta-lactamase inhibitors, and so obtained compounds BEECHAM GROUP PLC (GB) 1979-12-12 EP disclosed