SCHEMBL11355367

SCHEMBL11355367

COc1cc(NC(=O)N2CC[N]CC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
NAMPT P43490 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL418170 0.85 L3MBTL1 (0.69) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL11354403 0.84 POLB (0.61) POLBL3MBTL1NAMPTSMN1; SMN2KDM4E
SCHEMBL11353914 0.83 SMN1; SMN2 (0.73) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL11355371 0.83 POLB (0.59) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL7435574 0.83 POLB (0.59) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL2090923 0.80 L3MBTL1 (0.78) L3MBTL1NAMPTSMN1; SMN2MAPTMEN1
SCHEMBL11360125 0.80 ALDH1A1 (0.54) POLBSMN1; SMN2MAPTLMNAMEN1
SCHEMBL160520 0.78 POLB (0.68) POLBL3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL8307799 0.75 KMT2A (0.59) POLBSMN1; SMN2HPGDLMNAMEN1
SCHEMBL11363142 0.75 L3MBTL1 (0.74) POLBL3MBTL1NAMPTSMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252804-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS METABIO-JOULLIE (FR) 1981-02-24 US disclosed
US-4252804-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS METABIO-JOULLIE (FR) 1981-02-24 US disclosed