SCHEMBL5016245

SCHEMBL5016245

[O]c1ccc2sc(N3CCN(Cc4ccc(F)cc4)CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 3/20 0.56
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5016248 0.86 RAB9A (0.56) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL27645220 0.80 RAB9A (0.57) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL7959699 0.73 RAB9A (0.71) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL27645188 0.73 RAB9A (0.75) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL7760900 0.72 RAB9A (1.00) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL5544112 0.71 MAPT (0.74) DRD2GAAKDM4E
Hydrochloric Acid SCHEMBL7963191 0.71 RAB9A (0.81) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL7761263 0.71 RAB9A (0.81) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL5013351 0.70 RAB9A (0.56) RAB9AMEN1KMT2ANPC1CYP1A2
Oxalic Acid SCHEMBL7762758 0.70 RAB9A (0.66) RAB9AMEN1KMT2ANPC1CYP1A2

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