SCHEMBL27645201

SCHEMBL27645201

CCN(c1ccc(Cl)cc1)C1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.52
NPC1 O15118 13/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ACLY P53396 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42

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
SCHEMBL2091292 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL2091296 0.85 AR (0.50) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL27666043 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27644677 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27644633 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27645193 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27666199 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL15014136 0.75 RAB9A (0.66) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL27645217 0.73 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23965806 0.73 RAB9A (0.52) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed