SCHEMBL27644341

SCHEMBL27644341

Clc1cccc(CC2CCN(c3nc4ccccc4s3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL27645193 0.87 RAB9A (0.55) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27645203 0.87 RAB9A (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27644961 0.86 SCD (0.55) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2098344 0.84 MAPT (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2098341 0.84 MAPT (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7760033 0.81 RAB9A (0.79) RAB9ANPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7756351 0.81 RAB9A (0.77) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27644818 0.80 RAB9A (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27645256 0.77 RAB9A (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27666062 0.77 SCD (0.58) RAB9ANPC1MEN1KMT2AMAPT

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