SCHEMBL22265228

SCHEMBL22265228

COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Fe]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ TOP1 P11387 4/20 0.54
▸ CYCS P99999 4/20 0.53
▸ ENPP2 Q13822 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL5706250 0.98 TERT (0.54) TERTABCG2TOP1CYCSENPP2
SCHEMBL29414382 0.98 TERT (0.57) TERTABCG2TOP1CYCSENPP2
SCHEMBL949511 0.98 TERT (0.57) TERTABCG2TOP1CYCSENPP2
SCHEMBL29515314 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2
SCHEMBL20856304 0.97 TERT (0.59) TERTABCG2TOP1CYCSENPP2
SCHEMBL2338257 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2
SCHEMBL30539978 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2
Hydrochloric Acid SCHEMBL15768782 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2
SCHEMBL8430292 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2
SCHEMBL29431119 0.97 TERT (0.55) TERTABCG2TOP1CYCSENPP2

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
WO-2020153780-A1 BIFUNCTIONAL CATALYST FOR HYDROGENATION OF CARBON DIOXIDE, AND METHOD FOR PREPARING HYDROCARBON BY USING SAME 한국화학연구원 2020-07-30 — — WO disclosed
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