SCHEMBL6001076

SCHEMBL6001076

CNc1ccc2coccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
IMPDH2 P12268 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
KMT2A Q03164 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
USP2 O75604 3/20 0.35
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HSD17B10 Q99714 3/20 0.31
CYP2C19 P33261 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CSNK2A1 P68400 1/20 0.31
FYN P06241 2/20 0.30
METAP2 P50579 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7459989 0.78 RET (0.36) TOP2AIMPDH2ALDH1A1MEN1CYP1A2
SCHEMBL29256177 0.73 CYP1A2 (0.50) TOP2AIMPDH2ALDH1A1MEN1CYP1A2
SCHEMBL18638334 0.73 ERN1 (0.39) TOP2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL7696358 0.71 IMPDH2 (0.38) IMPDH2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9236975 0.69 KDM4E (0.45) TOP2AALDH1A1MEN1CYP1A2KMT2A
SCHEMBL26357602 0.68 LPL (0.46) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12878527 0.68 SERPINE1 (0.51) MAPT
SCHEMBL27752792 0.67 IMPDH2 (0.36) IMPDH2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28144164 0.67 IMPDH2 (0.36) IMPDH2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2008440 0.67 HDAC2 (0.37) IMPDH2ALDH1A1MEN1CYP1A2CYP3A4

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 3 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
US-6544978-B2 Treating Alzheimer's disease both prophylactically and therapeutically ATHENA NEUROSCIENCES, INC. 2003-04-08 US disclosed