SCHEMBL6002459

SCHEMBL6002459

CCCCCCOc1ccc(-c2c[nH][c]n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 10/20 0.49
CYP19A1 P11511 9/20 0.49
CYP2C9 P11712 8/20 0.49
CYP2C19 P33261 8/20 0.49
CYP1A2 P05177 7/20 0.49
NR5A1 Q13285 1/20 0.47
RARB P10826 3/20 0.47
CYP3A4 P08684 4/20 0.47
ALPL P05186 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.44

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
SCHEMBL6003637 0.96 CYP2D6 (0.53) KDM4EALDH1A1HPGDL3MBTL1CYP2D6
SCHEMBL14267492 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9154663 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9154372 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7775244 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL2204178 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9150185 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9153965 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9155028 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9150611 0.76 RARB (0.71) KDM4EALDH1A1HPGDL3MBTL1HTT

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