SCHEMBL27666152

SCHEMBL27666152

Fc1cc(F)c(NC2CCN(c3nc4ccccc4s3)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.53
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
ACLY P53396 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2095474 0.82 RAB9A (0.38) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27645261 0.81 NPC1 (0.53) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5243401 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27644640 0.76 NPC1 (0.55) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27644895 0.76 NPC1 (0.52) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27645177 0.74 RAB9A (0.55) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27644956 0.74 NPC1 (0.50) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27666068 0.74 SCD (0.58) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2097447 0.74 TP53 (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2097143 0.73 RAB9A (0.44) SCDRAB9ANPC1SMN1; SMN2MAPT

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