SCHEMBL14067115

SCHEMBL14067115

O=C(N1CCOCC1)N1CCN(CO)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.63
KMT2A Q03164 1/20 0.63
RECQL P46063 1/20 0.55
AKR1C3 P42330 8/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL11741744 0.84 MEN1 (0.85) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL2899860 0.82 MEN1 (0.80) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL28788972 0.82 MEN1 (0.61) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL20926957 0.82 RECQL (0.62) MEN1TP53KMT2ARECQLAKR1C3
Hydrochloric Acid SCHEMBL27660773 0.79 MEN1 (0.76) MEN1TP53KMT2ARECQLAKR1C3
Hydrochloric Acid SCHEMBL28000052 0.79 MEN1 (0.76) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL23775558 0.79 MEN1 (0.57) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL429662 0.77
SCHEMBL7962619 0.76 KMT2A (0.71) MEN1TP53KMT2ARECQLAKR1C3
SCHEMBL30677423 0.75 MEN1 (0.95) MEN1TP53KMT2ARECQLAKR1C3

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-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed