SCHEMBL11517565

SCHEMBL11517565

O=C1C=C(N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 3/20 0.42
TP53 P04637 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.39
RAB9A P51151 2/20 0.39
TDP2 O95551 2/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
NSD2 O96028 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9445166 0.88 MAPT (0.74) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL3631370 0.85 MAPT (0.53) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL6129230 0.80 ALDH1A1 (0.68) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL23673651 0.80 MAPT (0.47) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL14747892 0.76 MAPT (0.43) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL15432005 0.75 MAPT (0.61) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL12618676 0.72 ALDH1A1 (0.77) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL15448153 0.71 MAPT (0.55) MAPTALDH1A1KMT2A
SCHEMBL19308631 0.71 MAPT (0.55) MAPTALDH1A1KMT2AGAATSHR
SCHEMBL13057019 0.71 MAPT (0.55) MAPTALDH1A1KMT2AMEN1USP2

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-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US disclosed