SCHEMBL6003069

SCHEMBL6003069

[O]C(Cl)(Cl)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 2/20 0.41
CA4 P22748 1/20 0.38
CYP1A2 P05177 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNA3 P22001 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
PPARA Q07869 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8584192 0.83 CYP1A2 (0.41) LTA4HTSHRCYP1A2SRCMEN1
SCHEMBL692135 0.83 CYP1A2 (0.46) LTA4HTSHRCYP1A2SRCMEN1
Water SCHEMBL28856009 0.81 CYP1A2 (0.45) LTA4HTSHRCYP1A2SRCMEN1
SCHEMBL11851064 0.81 CYP1A2 (0.40) LTA4HTSHRCYP1A2SRCMEN1
SCHEMBL9162927 0.80 ALOX15 (0.42) LTA4HTSHRCA4CYP1A2CA1
SCHEMBL9387821 0.80 PPARA (0.40) CA4CYP1A2MEN1KMT2AALDH1A1
SCHEMBL11292038 0.80 PARP10 (0.42) TSHRCYP1A2MEN1KMT2AALDH1A1
SCHEMBL5970960 0.78 CES1 (0.47) TSHRCA4CYP1A2CA1CA2
SCHEMBL30045985 0.78 CA2 (0.40) CA4CYP1A2CA2SRCMEN1
SCHEMBL3050911 0.78 PPARA (0.38) CA4CYP1A2SRCMEN1KMT2A

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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed