SCHEMBL11164728

SCHEMBL11164728

CC(=O)c1ccc(C#N)c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.49
KDM4E B2RXH2 4/20 0.45
EGLN1 Q9GZT9 3/20 0.45
KDM6B O15054 1/20 0.45
KDM6A O15550 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
TET1 Q8NFU7 1/20 0.45
FTO Q9C0B1 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
LRRK2 Q5S007 1/20 0.43
COMT P21964 1/20 0.42

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
SCHEMBL27767795 0.80 KDM4E (0.64) KDM4EEGLN1KDM6BKDM6ATET3
SCHEMBL11912045 0.78 MEN1 (0.51) KDM4EEGLN1KDM6BKDM6ATET3
SCHEMBL29462403 0.78 KDM4E (0.73) KDM4EEGLN1KDM6BKDM6ATET3
SCHEMBL163474 0.78 KDM4E (0.73) KDM4EEGLN1KDM6BKDM6ATET3
SCHEMBL27714474 0.77 ELANE (0.44) ELANEKDM4EEGLN1KDM6BKDM6A
SCHEMBL13209656 0.77 IMPDH2 (0.49) KDM4EL3MBTL1GALR3ALDH1A1RAB9A
SCHEMBL22889830 0.77 KDM4E (0.54) ELANEKDM4EEGLN1KDM6BKDM6A
SCHEMBL3050409 0.76 MEN1 (0.51) KDM4EEGLN1KDM6BKDM6ATET3
Hydrochloric Acid SCHEMBL3310696 0.76 KDM4E (0.71) KDM4EEGLN1KDM6BKDM6ATET3
SCHEMBL4608765 0.76 LMNA (0.49) KDM4EEGLN1KDM6BKDM6ATET3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4396620-A BACTERICIDES ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382931-A 3'-Substituted quinolinium cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 US disclosed