SCHEMBL20008582

SCHEMBL20008582

CNc1ccc(C)c(C(/C=C\N)=N/C(=C/C=N)N2CCOCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
PABPC1 P11940 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21954796 0.60 SMN1; SMN2 (0.38) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL19187802 0.59 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL20008169 0.58 PABPC1 (0.34) PABPC1
SCHEMBL20008233 0.56 RAB9A (0.39) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL14595482 0.56 SMN1; SMN2 (0.36) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL22225558 0.55 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8312462 0.54 GAA (0.73) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10246156 0.54 PHGDH (0.63) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL16488283 0.54 TERT (0.33) SMN1; SMN2
SCHEMBL20009403 0.54

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed