SCHEMBL5013346

SCHEMBL5013346

[O]c1nc2c(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 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 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
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 7/20 0.37
DRD4 P21917 7/20 0.37
DRD3 P35462 6/20 0.37
HTR1A P08908 2/20 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
SCHEMBL5013348 0.86 KDM4E (0.45) KDM4EALDH1A1TSHRPOLBRAB9A
SCHEMBL5016131 0.84 ALDH1A1 (0.51) KDM4EALDH1A1TSHRPOLBRAB9A
SCHEMBL2095281 0.81 SMN1; SMN2 (0.34) TSHRRAB9ANPC1SMN1; SMN2BCHE
SCHEMBL5015079 0.79 DRD2 (0.41) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL5015107 0.77 GNRHR (0.44) KDM4EALDH1A1POLBRAB9AMEN1
SCHEMBL2094072 0.74 SCD (0.36) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5016197 0.74 DRD2 (0.43) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL5011693 0.73 ADRA1A (0.45) ALDH1A1TSHRSMN1; SMN2MAPK1MAPT
SCHEMBL5011767 0.71 HRH3 (0.45) DRD2HTR1AHTR2A
SCHEMBL2090166 0.70 DRD2 (0.40) TSHRPOLBRAB9AMEN1KMT2A

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