SCHEMBL13661850

SCHEMBL13661850

CCOC(=O)c1csc(N=Nc2c(O)c3ccccc3oc2=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ RAB9A P51151 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ VKORC1 Q9BQB6 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43

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
SCHEMBL12034294 0.81 MAPT (0.49) ALDH1A1MEN1KMT2AADORA3KDM4E
SCHEMBL12052696 0.80 MAPT (0.45) ALDH1A1MEN1KMT2AADORA3POLB
SCHEMBL13661853 0.80 ALDH1A1 (0.54) ALDH1A1RAB9AADORA3KDM4EMAPT
SCHEMBL13661849 0.75 ALDH1A1 (0.55) ALDH1A1RAB9AMEN1KMT2AADORA3
SCHEMBL12034211 0.72 MAPT (0.48) ALDH1A1MEN1KMT2AADORA3KDM4E
SCHEMBL8443505 0.71 ALDH1A1 (1.00) ALDH1A1KMT2AADORA3POLBKDM4E
SCHEMBL13661846 0.71 NPC1 (0.44) ALDH1A1RAB9AMEN1KMT2APOLB
SCHEMBL11766676 0.69 MAPT (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11766670 0.69 MAPT (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL14386318 0.68 RAB9A (0.49) ALDH1A1RAB9AMEN1KMT2APOLB

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-20090263611-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2009-10-22 — — US disclosed
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