SCHEMBL5013289

SCHEMBL5013289

[O]c1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ncsc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
RBP4 P02753 1/20 0.47
POLB P06746 1/20 0.44
SERPINE1 P05121 1/20 0.44
KCNN4 O15554 2/20 0.44
FAAH O00519 1/20 0.43
SRPK1 Q96SB4 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5013297 0.88 GAA (0.48) KDM4EALDH1A1GAALMNARBP4
SCHEMBL2096558 0.84 KCNN4 (0.41) KDM4EKCNN4HTR6
SCHEMBL27665953 0.83 KDM4E (0.52) KDM4EALDH1A1GAALMNARBP4
SCHEMBL2095145 0.77 TP53 (0.46) KDM4EALDH1A1GAA
SCHEMBL27644470 0.76 DRD2 (0.43) KDM4EALDH1A1GAALMNARBP4
SCHEMBL5013426 0.74 RBP4 (0.40) KDM4EALDH1A1GAALMNARBP4
SCHEMBL5015053 0.72 SIGMAR1 (0.49) POLBDRD2SIGMAR1
SCHEMBL8169598 0.72 KDM4E (0.59) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL5541635 0.71 KDM4E (0.62) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL6863328 0.71 KDM4E (0.62) KDM4EALDH1A1GAALMNAPOLB

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-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed