SCHEMBL5012744

SCHEMBL5012744

CCc1nnc(-c2cc(C=O)c(N3CC(C)OC(C)C3)c(F)c2F)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5063593 0.92 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5012832 0.91 KDM4E (0.32) KDM4EHTT
SCHEMBL5011046 0.86 KDM4E (0.34) KDM4EHTTALDH1A1RAB9A
SCHEMBL5012158 0.86 KDM4E (0.34) KDM4EHTTALDH1A1RAB9A
SCHEMBL5011042 0.86 KDM4E (0.34) KDM4EHTTALDH1A1RAB9A
SCHEMBL5054392 0.86 KDM4E (0.31) KDM4EALDH1A1RAB9A
SCHEMBL5012712 0.84 ALDH1A1 (0.32) ALDH1A1RAB9A
SCHEMBL5010975 0.84 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5012206 0.84 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5010977 0.84 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed