SCHEMBL4453345

SCHEMBL4453345

CCCC(O)I(C)c1ccc(-c2nccc(C(=O)O)c2F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.35
▸ MAP3K5 Q99683 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33

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
SCHEMBL13722986 0.74 KDM4E (0.42) XDHMAP3K5KDM4EASPHKDM8
SCHEMBL13004322 0.73 XDH (0.48) XDHKDM4EASPHKDM8
SCHEMBL4446698 0.72 XDH (0.48) XDHKDM4E
SCHEMBL16313328 0.71 KDM4E (0.40) XDHMAP3K5SLC22A12KDM4EASPH
SCHEMBL14184585 0.70 XDH (0.45) XDH
SCHEMBL13723419 0.70 KDM4E (0.45) XDHMAP3K5SLC22A12KDM4EASPH
SCHEMBL3586838 0.68 XDH (0.41) XDHSLC22A12KDM4E
SCHEMBL14384228 0.67 XDH (0.52) XDHKDM4E
SCHEMBL22245628 0.64 KDM4E (0.56) KDM4EASPHKDM8
SCHEMBL26036572 0.64 KMO (0.62) KDM4EASPHKDM8

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-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 — — EP disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 — — EP disclosed
Send feedback