SCHEMBL9846336

SCHEMBL9846336

CCCc1cc(C#N)c(OC)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM5A P29375 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9262255 0.87 GAA (0.57) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL1741630 0.78 GAA (0.50) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL9846221 0.78 CYP1A2 (0.49) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL15174914 0.73 GAA (0.60) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL9846251 0.72 GRM1 (0.37) GAAKDM4ELMNAALDH1A1HPGD
SCHEMBL21705945 0.70 GAA (0.36) GAAKDM4EKDM5AALDH1A1HPGD
SCHEMBL9846110 0.69 GAA (0.55) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL9846326 0.69 GAA (0.76) GAAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL8594445 0.69 GRM1 (0.37) GAAKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL9524583 0.68 KDM4E (0.55) GAAKDM4ESMN1; SMN2POLBLMNA

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed