SCHEMBL17527719

SCHEMBL17527719

CNC(=O)C(C#N)=CC=CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 11/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 3/20 0.42
▸ KMT2A Q03164 8/20 0.37
▸ LMNA P02545 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ USP2 O75604 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ F2 P00734 1/20 0.33

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
SCHEMBL23140710 0.83 RECQL (0.68) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL12294071 0.83 RECQL (0.68) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL23140711 0.83 RECQL (0.68) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL23140679 0.82 RECQL (0.50) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL20805917 0.82 RECQL (0.50) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL23140678 0.82 RECQL (0.50) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL12864657 0.74 MCL1 (0.47) RECQLALDH1A1GAAKMT2ALMNA
SCHEMBL12758229 0.73 RECQL (0.49) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL15761685 0.72 ALDH1A1 (0.52) RECQLALDH1A1KDM4EGAAKMT2A
SCHEMBL17790100 0.71 RECQL (0.68) RECQLALDH1A1KDM4EGAAKMT2A

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
EP-2985325-A1 COMPOSITION FOR FORMING FAR-INFRARED RADIATION SHIELDING LAYER Fujifilm Corporation (JP) 2016-02-17 — — EP disclosed
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