SCHEMBL5262235

SCHEMBL5262235

C=CCc1cccc2nc(CC(=O)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
PLEC Q15149 1/20 0.40
CYP1A2 P05177 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PKM P14618 3/20 0.38
TP53 P04637 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10212024 0.85 MEN1 (0.40) MEN1KMT2AMAPTPOLBCYP1A2
SCHEMBL8852131 0.79 MGAM (0.49) TDP1MEN1KMT2AMAPTGABRA1
SCHEMBL28524128 0.79 KDM4E (0.41) MEN1KMT2AMAPTCYP1A2PKM
SCHEMBL18850241 0.78 TDP1 (0.58) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL8515582 0.78 CYP4F2 (0.38) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL19050195 0.75 AKR1B1 (0.54) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL21462042 0.74 GABRA1 (0.48) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL426942 0.73 PTGS2 (0.42) MEN1KMT2AMAPTPOLBCYP1A2
SCHEMBL19138018 0.73 PTGS2 (0.47) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL6390178 0.72 AKR1B1 (0.55) TDP1MAPTCYP1A2GABRA1GABRB2

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-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed