SCHEMBL6003038

SCHEMBL6003038

[CH](Oc1ccccc1)n1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC9A1 P19634 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ CYP4Z1 Q86W10 1/20 0.43
▸ GRM2 Q14416 2/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MGAM O43451 1/20 0.39

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
SCHEMBL221980 0.72 RAB9A (0.53) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL6008529 0.72 RAB9A (0.53) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL7227104 0.72 SLC9A1 (0.55) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL1568148 0.72 RAB9A (0.53) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL7100624 0.72 RAB9A (0.53) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL30586926 0.72 RAB9A (0.53) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL23057524 0.70 RAB9A (0.64) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL13604201 0.70 RAB9A (0.64) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL14489533 0.69 RAB9A (0.58) RAB9ANPC1L3MBTL1SLC9A1MAPT
SCHEMBL24254311 0.69 RAB9A (0.58) RAB9ANPC1L3MBTL1SLC9A1MAPT

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
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