SCHEMBL16628551

SCHEMBL16628551

O=C(O)CNc1cnccc1I

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 18/20 0.43
KDM6B O15054 6/20 0.43
KDM4D Q6B0I6 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5B Q9UGL1 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL18857778 0.84 KDM4C (0.46) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL12097980 0.82 KDM4C (0.43) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL12097414 0.82 MEN1 (0.40) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL18857773 0.79 KDM4C (0.46) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL5827069 0.77 KDM4C (0.46) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL18857775 0.76 KDM4C (0.49) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL12496875 0.76 KDM4C (0.47) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL15597302 0.72 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL15600006 0.72 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL29870952 0.71 KDM4C (0.43) KDM4CKDM6BKDM4D

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-2681194-B1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed