SCHEMBL4438571

SCHEMBL4438571

Cc1ccn2c(C(=O)C(N)=O)c(-c3ccccc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 6/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 3/20 0.44
CGAS Q8N884 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC7 Q8WUI4 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PLA2G1B P04054 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36

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
SCHEMBL3887651 0.86 SMN1; SMN2 (0.52) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL1645322 0.83 SMN1; SMN2 (0.68) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL4434623 0.81 SMN1; SMN2 (0.49) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL1645232 0.80 SMN1; SMN2 (0.52) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL7172307 0.75 MAPT (0.41) SMN1; SMN2L3MBTL1MAPTPOLBNPSR1
SCHEMBL6218928 0.74 THRB (0.41) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL4432353 0.74 SMN1; SMN2 (0.44) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL29697806 0.74 MMP1 (0.41) SMN1; SMN2THRBALDH1A1KDM4EHDAC7
Hydrochloric Acid SCHEMBL6216306 0.74 THRB (0.40) SMN1; SMN2THRBL3MBTL1MAPTPOLB
SCHEMBL11078528 0.73 NPC1 (0.46) SMN1; SMN2THRBL3MBTL1MAPTPOLB

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
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed