SCHEMBL14022673

SCHEMBL14022673

COc1ccccc1[C@H](C)NCC(=O)NSC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
OPRK1 P41145 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR1 Q92633 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL15637303 0.81 SMN1; SMN2 (0.58) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL9680727 0.78 SMN1; SMN2 (0.60) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14022033 0.76 LMNA (0.65) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10243312 0.72 L3MBTL1 (0.48) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL10244994 0.72 CA1 (0.53) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL17029843 0.72 CA1 (0.53) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL19658746 0.72 SMN1; SMN2 (0.56) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL10244611 0.71 HPGD (0.49) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL335035 0.71 CA1 (0.53) HPGDSMN1; SMN2LMNACA1CA2
SCHEMBL6155512 0.71 CA1 (0.56) HPGDSMN1; SMN2LMNACA1CA2

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-2008135386-A1 CHIRAL LIGANDS OF THE N-HETEROCYCLIC CARBENE TYPE FOR ASYMMETRICAL CATALYSIS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2008-11-13 WO disclosed