SCHEMBL13680938

SCHEMBL13680938

NC(=O)Nc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.47
TP53 P04637 6/20 0.45
LMNA P02545 5/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13681034 0.90 MEN1 (0.46) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680933 0.88 SREBF2 (0.51) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680934 0.85 TP53 (0.51) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680936 0.85 TP53 (0.46) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680940 0.84 TP53 (0.45) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680945 0.83 MEN1 (0.52) MEN1KMT2ATP53LMNARXFP1
SCHEMBL13680947 0.82 TP53 (0.46) MEN1KMT2APOLBTP53LMNA
SCHEMBL13680942 0.80 KDM4E (0.47) TP53LMNAHTTMAPTKDM4E
SCHEMBL13680943 0.80 RAB9A (0.48) MEN1KMT2APOLBTP53LMNA
SCHEMBL13681044 0.80 MAPT (0.41) MEN1KMT2ATP53LMNAMAPT

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