SCHEMBL5013429

SCHEMBL5013429

Oc1ccc2scnc2c1N1CCN(Cc2cccc(C(F)(F)C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
RBP4 P02753 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
BCL2L1 Q07817 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL5013426 0.89 RBP4 (0.40) GAALMNARBP4KDM4EALDH1A1
SCHEMBL2098701 0.85 MGLL (0.35) KDM4EALDH1A1MEN1KMT2AFAAH
SCHEMBL27644470 0.84 DRD2 (0.43) GAALMNARBP4KDM4EALDH1A1
SCHEMBL2098162 0.77 SCN10A (0.36) TP53MEN1KMT2A
SCHEMBL5013397 0.77 DRD2 (0.36) TP53MEN1KMT2ADRD2DRD4
SCHEMBL27665953 0.76 KDM4E (0.52) GAALMNARBP4KDM4EALDH1A1
SCHEMBL5013297 0.74 GAA (0.48) GAALMNATP53RBP4KDM4E
SCHEMBL2098699 0.74 HRH3 (0.34) ALDH1A1FAAHSMN1; SMN2KCNN4
SCHEMBL5536579 0.72 DRD4 (0.60) GAALMNATP53KDM4EALDH1A1
SCHEMBL5016368 0.71 CASP1 (0.38) LMNAKDM4EALDH1A1SMN1; SMN2

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