SCHEMBL13400529

SCHEMBL13400529

Cc1cc(C)cc(NC(=S)Nc2cccc(C#CC(C)(C)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ GAA P10253 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13023014 0.88 ALDH1A1 (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13400502 0.81 KCNK3 (0.50) MAPTMEN1KMT2ALMNAEGFR
SCHEMBL13400526 0.79 MAPT (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL845317 0.76 GRM5 (0.52) ALDH1A1MEN1KMT2ARAB9ACYP1A2
SCHEMBL13433329 0.76 MAPT (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL31536232 0.75 EGFR (0.49) MAPTLMNACYP2D6EGFRHTT
SCHEMBL2889973 0.75 EGFR (0.49) MAPTLMNACYP2D6EGFRHTT
SCHEMBL13400527 0.74 ALDH1A1 (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL15196555 0.74 EGFR (0.48) MAPTLMNAEGFRHTTIDO1
SCHEMBL2629434 0.73 GRM5 (0.49) MAPTEGFR

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-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 — — US disclosed
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