SCHEMBL13046377

SCHEMBL13046377

C=C1C2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.38
MAOA P21397 1/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TFPI2 P48307 1/20 0.37

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
SCHEMBL10038047 0.89 MEN1 (0.65) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3495788 0.89 MEN1 (0.65) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL15836588 0.89 MEN1 (0.65) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3183615 0.72 L3MBTL1 (0.50) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3493827 0.72 HSD17B10 (0.56) L3MBTL1KMT2AMEN1POLBALDH1A1
SCHEMBL3183605 0.72 L3MBTL1 (0.50) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3493956 0.72 ALOX15 (0.56) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL13955065 0.71 SMN1; SMN2 (0.51) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3180518 0.71 L3MBTL1 (0.52) L3MBTL1KMT2AMEN1POLBATM
SCHEMBL3497059 0.71 FAAH (0.50) L3MBTL1KMT2AMEN1POLBATM

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
WO-2010145024-A1 PROCESS FOR THE ASYMMETRIC HYDROGENATION OF IMIDES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-12-23 WO disclosed