SCHEMBL2335933

SCHEMBL2335933

Cc1ccccc1-c1cc(C(N)=O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.51
SMYD2 Q9NRG4 1/20 0.51
KDM5C P41229 2/20 0.49
KDM4B O94953 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
JAK2 O60674 1/20 0.46
FFAR1 O14842 1/20 0.46
PARP1 P09874 2/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CTSA P10619 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
TGFBR1 P36897 1/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
HSD17B10 Q99714 3/20 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
SCHEMBL9473584 0.87 KDM4C (0.54) KDM4CSMYD2KDM5CKDM5BFFAR1
SCHEMBL21310984 0.86 KDM4C (0.68) KDM4CSMYD2KDM5CKDM4BKDM5B
SCHEMBL30775344 0.86 KDM4C (0.68) KDM4CSMYD2KDM5CKDM4BKDM5B
SCHEMBL29932993 0.83 KDM1A (0.55) KDM4CKDM5CKDM4BKDM5BPARP1
SCHEMBL29933114 0.83 KDM1A (0.53) KDM4CKDM5CKDM4BKDM5BPARP1
SCHEMBL28490524 0.82 KDM4C (0.61) KDM4CSMYD2KDM5CKDM5BFFAR1
SCHEMBL29163838 0.81 SMYD2 (0.47) KDM4CSMYD2KDM5CKDM5BFFAR1
SCHEMBL1758494 0.81 KDM4C (0.51) KDM4CKDM5CKDM4BKDM5BPARP1
SCHEMBL29933213 0.81 HDAC1 (0.58) KDM4CKDM5CKDM4BKDM5BJAK2
Nitrous Acid SCHEMBL29163839 0.81 KDM4C (0.62) KDM4CSMYD2KDM5CKDM4BKDM5B

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
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP claimed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed