SCHEMBL13680940

SCHEMBL13680940

CN(C)C(=O)Nc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13680947 0.89 TP53 (0.46) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680933 0.87 SREBF2 (0.51) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680936 0.85 TP53 (0.46) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680934 0.85 TP53 (0.51) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680938 0.84 MEN1 (0.49) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13681034 0.82 MEN1 (0.46) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680946 0.82 AVPR1B (0.47) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680941 0.79 KDM4E (0.47) TP53LMNAPOLBMAPTNPC1
SCHEMBL13681038 0.79 MAPT (0.41) TP53LMNAPOLBRXFP1MAPT
SCHEMBL13680932 0.78 KMT2A (0.47) TP53LMNAPOLBRXFP1MAPT

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed