SCHEMBL13996429

SCHEMBL13996429

O=C(O)CCN1/C(=C\C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)Sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ DUSP22 Q9NRW4 4/20 0.53
▸ THRB P10828 1/20 0.51
▸ BLM P54132 2/20 0.48
▸ PLA2G1B P04054 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48
▸ CISD1 Q9NZ45 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ CFTR P13569 2/20 0.44

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
SCHEMBL10784456 0.80 MEN1 (0.79) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL10784452 0.80 MEN1 (0.79) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL14001391 0.80 MAPT (0.55) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL11598236 0.76 MAPT (0.56) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL11598233 0.76 MAPT (0.56) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL11595198 0.75 MEN1 (0.59) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL11595196 0.75 MEN1 (0.59) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL10659352 0.74 KMT2A (0.76) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL10659348 0.74 KMT2A (0.76) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL11596754 0.72 MEN1 (0.61) MAPTALDH1A1LMNAPOLBHTT

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-7468146-B2 Metal chalcogenide composite nano-particles and layers therewith AGFA-GEVAERT (BE) 2008-12-23 — — US disclosed
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