SCHEMBL18987341

SCHEMBL18987341

[CH2]COc1cc(-n2nc3ccc(OC)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGDS O60760 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PKM P14618 1/20 0.32
ESRRA P11474 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL1247781 0.91 CA1 (0.39) CA1CA2MAPTLMNAALDH1A1
SCHEMBL8922405 0.88 CA1 (0.40) CA1CA2MAPTLMNAALDH1A1
SCHEMBL8441278 0.87 CA1 (0.39) CA1CA2MAPTLMNAALDH1A1
SCHEMBL13021504 0.85 MAOB (0.46) CA1CA2MAPTLMNAESRRA
SCHEMBL2801917 0.84 CA1 (0.34) CA1CA2MAPTLMNAALDH1A1
SCHEMBL13021503 0.83 CA1 (0.43) CA1CA2MAPTLMNAALDH1A1
SCHEMBL9620532 0.83 CA1 (0.42) CA1CA2MAPTLMNAALDH1A1
SCHEMBL24205703 0.82 CA1 (0.42) CA1CA2MAPTLMNAALDH1A1
SCHEMBL2778858 0.82 POLB (0.35) CA1CA2MAPTLMNAALDH1A1
SCHEMBL29399534 0.82 POLB (0.35) CA1CA2MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP claimed
EP-3958788-A1 SYSTEM AND METHOD Merck Patent GmbH (DE) 2022-03-02 EP disclosed
WO-2020216928-A1 SYSTEM AND METHOD MERCK PATENT GMBH (DE) 2020-10-29 WO disclosed
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed
EP-3391100-A1 AMPHIPHILIC BRANCHED POLYDIORGANOSILOXANE MACROMERS Novartis AG (CH) 2018-10-24 EP disclosed
WO-2017103792-A1 AMPHIPHILIC BRANCHED POLYDIORGANOSILOXANE MACROMERS NOVARTIS AG (CH) 2017-06-22 WO disclosed