SCHEMBL11367101

SCHEMBL11367101

CC(C)Cn1cccc1C(=O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HK1 P19367 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL11350388 0.83 KDM4E (0.44) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL29065067 0.77 POLB (0.42) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL11361948 0.76 CNR2 (0.49) KDM4EMAPTALDH1A1HK1SMN1; SMN2
SCHEMBL922975 0.76 MAOB (0.51) KDM4EKMT2AMAPTMEN1GAA
SCHEMBL11354910 0.73 ALDH1A1 (0.46) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL25392488 0.72 MEN1 (0.38) KDM4EKMT2AMAPTMEN1RECQL
SCHEMBL25393644 0.72 MEN1 (0.38) KDM4EKMT2AMAPTMEN1RECQL
SCHEMBL25392489 0.72 MEN1 (0.38) KDM4EKMT2AMAPTMEN1RECQL
SCHEMBL13448507 0.70 GRM2 (0.43) KDM4EGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL25393045 0.70 ALDH1A1 (0.33) KDM4EKMT2AMAPTMEN1RECQL

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-4256759-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 — — US disclosed
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