SCHEMBL5013348

SCHEMBL5013348

Oc1nc2c(N3CCN(Cc4c(F)c(F)c(F)c(F)c4F)CC3)cccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
GNRHR P30968 1/20 0.38
BCHE P06276 1/20 0.37
DRD2 P14416 6/20 0.37
DRD4 P21917 6/20 0.37
DRD3 P35462 5/20 0.37
HTR1A P08908 5/20 0.36
HTR2A P28223 2/20 0.36

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
SCHEMBL5013346 0.86 KDM4E (0.45) KDM4EALDH1A1POLBTSHRMEN1
SCHEMBL5016133 0.84 KMT2A (0.51) KDM4EALDH1A1POLBTSHRMEN1
SCHEMBL2095285 0.81 SMN1; SMN2 (0.34) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5015080 0.79 DRD2 (0.41) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5015111 0.77 GNRHR (0.44) KDM4EALDH1A1POLBTSHRMEN1
SCHEMBL27666126 0.77 ALDH1A1 (0.46) KDM4EALDH1A1POLBTSHRMEN1
SCHEMBL5013459 0.76 MEN1 (0.52) ALDH1A1MEN1KMT2ABCHEDRD2
SCHEMBL2094075 0.74 SCD (0.36) TSHRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2090169 0.70 GRIN2B (0.42) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL5016131 0.70 ALDH1A1 (0.51) KDM4EALDH1A1POLBTSHRMEN1

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