SCHEMBL13830204

SCHEMBL13830204

CCc1csc(N=Nc2c(O)c3ccccc3n(C)c2=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ MGAM O43451 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ SI P14410 3/20 0.49
▸ MGAM2 Q2M2H8 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PRNP P04156 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL13663743 0.88 ALDH1A1 (0.45) ALDH1A1MGAMGAASIMGAM2
SCHEMBL13661853 0.82 ALDH1A1 (0.54) ALDH1A1MGAMGAASIMGAM2
SCHEMBL12034302 0.77 MAPT (0.52) ALDH1A1MGAMGAASIMGAM2
SCHEMBL12034294 0.77 MAPT (0.49) ALDH1A1MAPTKDM4ERXFP1KMT2A
SCHEMBL12034296 0.73 MAPT (0.41) ALDH1A1MGAMGAASIMGAM2
SCHEMBL13661854 0.72 ALDH1A1 (0.37) ALDH1A1MGAMGAASIMGAM2
SCHEMBL12034303 0.71 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL12034220 0.70 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL30440624 0.69 KMT2A (0.57) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL10315671 0.67 KDM4E (0.70) ALDH1A1GAASMN1; SMN2MAPTHPGD

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-8309196-B2 Optical recording medium, optical recording material and metal complex compound MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2012-11-13 — — US disclosed
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