SCHEMBL27600295

SCHEMBL27600295

O=C1C(=Cc2cccc(O)c2)SC(=NCc2ccccc2)N1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ ATM Q13315 2/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ GAA P10253 2/20 0.72
▸ HPGD P15428 1/20 0.70
▸ LMNA P02545 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ CA9 Q16790 4/20 0.67
▸ PTPN1 P18031 6/20 0.66
▸ ACP1 P24666 6/20 0.66
▸ S1PR1 P21453 2/20 0.55
▸ S1PR3 Q99500 2/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ POLB P06746 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ SENP8 Q96LD8 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52

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
SCHEMBL17295568 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295569 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL19096570 0.79 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295246 0.77 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295528 0.77 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295526 0.77 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295247 0.77 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295440 0.77 MAPT (0.62) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295438 0.77 MAPT (0.62) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17295330 0.75 MAPT (0.60) MEN1KMT2AALDH1A1MAPTATM

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
CN-1657529-A 2-substituted imine thia zlidine derivative its preparation technology and medicinal composition SHANGHAI INST PHARM INDUSTRY (CN) 2005-08-24 — — CN disclosed
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