SCHEMBL9012325

SCHEMBL9012325

O=C(OCCOc1ccccc1)c1ccc(Nc2nc(Nc3ccc(C(=O)OCCOc4ccccc4)cc3)nc(Nc3ccc(C(=O)OCCOc4ccccc4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ PKM P14618 4/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ THRB P10828 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48

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
SCHEMBL3434351 0.84 RAB9A (0.69) MAPTRAB9AALDH1A1PKMMEN1
SCHEMBL2853034 0.81 TDP1 (0.66) MAPTRAB9AALDH1A1PKMMAPK1
SCHEMBL13752174 0.80 MEN1 (0.53) MAPTRAB9AALDH1A1HTTMEN1
SCHEMBL11323600 0.79 PKM (0.77) MAPTRAB9AALDH1A1PKMMEN1
SCHEMBL20515482 0.79 TDP1 (0.63) MAPTRAB9AALDH1A1PKMMAPK1
SCHEMBL160688 0.78 ESR1 (0.69) MAPTRAB9AALDH1A1PKMMAPK1
SCHEMBL3434811 0.78 PKM (0.59) MAPTRAB9AALDH1A1PKMMAPK1
SCHEMBL22356355 0.78 THRB (0.66) MAPTRAB9AALDH1A1HTTMEN1
SCHEMBL22356462 0.78 THRB (0.66) MAPTRAB9AALDH1A1HTTMEN1
SCHEMBL9012180 0.78 MDH1 (0.52) MAPTRAB9AMEN1KMT2ATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517104-B1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA SPA (IT) 1996-11-27 — — EP claimed
US-5233040-A Light stabilizers for synthetic polymers; sunscreen agents SIGMA PRODOTTI CHIMICI S.P.A. (IT) 1993-08-03 — — US claimed
EP-0517104-A1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA S.p.A (IT) 1992-12-09 — — EP claimed
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