SCHEMBL9728198

SCHEMBL9728198

CCc1cccc2c1C(=O)C(=O)N2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ANPEP P15144 2/20 0.36
DPP4 P27487 2/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL28074698 0.80 TTR (0.48) MGLLLMNAMAPTTP53GABRA1
SCHEMBL10045010 0.75 TTR (0.47) MGLLLMNAMAPTTP53GABRA1
SCHEMBL28551734 0.71 MGLL (0.36) MGLLLMNAMAPTTP53GABRA1
SCHEMBL14901093 0.69 TP53 (0.38) MGLLLMNAMAPTTP53GABRA1
SCHEMBL29717667 0.67 ALDH1A1 (0.44) MGLLMAPTTP53MEN1KMT2A
SCHEMBL18900024 0.67 LMNA (0.44) MGLLLMNAMAPTGABRA1GABRB2
SCHEMBL29711265 0.66 CES1 (0.59) ALDH1A1
SCHEMBL10883505 0.66 MAOA (0.48) LMNAMAPTGABRA1GABRB2ANPEP
SCHEMBL2259762 0.66 CES1 (0.59) ALDH1A1
SCHEMBL18983060 0.66 MAPT (0.46) LMNAMAPTGABRA1GABRB2ANPEP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151518-A N-arylation of isatins ABBOTT LABORATORIES (US) 1992-09-29 US disclosed