SCHEMBL13680933

SCHEMBL13680933

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.51
ADRB2 P07550 1/20 0.50
TP53 P04637 4/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADORA1 P30542 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL13680936 0.88 TP53 (0.46) TP53LMNAPOLBRXFP1MEN1
SCHEMBL13680934 0.88 TP53 (0.51) SREBF2TP53LMNAPOLBKDM4E
SCHEMBL13680938 0.88 MEN1 (0.49) TP53LMNAPOLBKDM4ERXFP1
SCHEMBL13680940 0.87 TP53 (0.45) TP53LMNAPOLBRAB9ANPC1
SCHEMBL13681034 0.85 MEN1 (0.46) TP53LMNAPOLBRAB9AKDM4E
SCHEMBL13680947 0.85 TP53 (0.46) SREBF2TP53LMNAPOLBRAB9A
SCHEMBL13680932 0.83 KMT2A (0.47) TP53LMNAPOLBRAB9AKDM4E
SCHEMBL13681055 0.82 KDM4E (0.46) TP53LMNAPOLBRAB9ANPC1
SCHEMBL13681047 0.81 ADRB2 (0.40) SREBF2ADRB2TP53RAB9AKDM4E
SCHEMBL13680948 0.80 SREBF1 (0.51) SREBF2TP53LMNARAB9AKDM4E

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