SCHEMBL6002477

SCHEMBL6002477

[O]c1c(N2CCCCC2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.46
AR P10275 2/20 0.45
CTSB P07858 1/20 0.45
HPGD P15428 2/20 0.44
NCF1 P14598 3/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KEAP1 Q14145 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1331903 0.79 CRHBP (0.47) PRKDCARHPGDNCF1ALDH1A1
SCHEMBL3080094 0.77 NCF1 (0.67) ARCTSBHPGDNCF1ALDH1A1
SCHEMBL7491687 0.77 NCF1 (0.67) ARCTSBHPGDNCF1ALDH1A1
SCHEMBL29139355 0.76 RAB9A (0.47) PRKDCARCTSBHPGDNCF1
SCHEMBL28401632 0.76 ERN1 (0.50) PRKDCARCTSBHPGDNCF1
SCHEMBL6002813 0.75 PRKDC (0.46) PRKDCHPGDALDH1A1L3MBTL1KDM4E
SCHEMBL1876619 0.75 NCF1 (0.69) ARCTSBHPGDNCF1ALDH1A1
SCHEMBL30719030 0.74 L3MBTL1 (0.49) PRKDCARCTSBHPGDNCF1
SCHEMBL20436315 0.73 KEAP1 (0.50) PRKDCARHPGDNCF1ALDH1A1
Lithium SCHEMBL31260768 0.73 NCF1 (0.67) ARCTSBHPGDNCF1ALDH1A1

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