SCHEMBL3346103

SCHEMBL3346103

O=C1COc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TERT O14746 1/20 0.40
ADRA2A P08913 1/20 0.40
PNMT P11086 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL2361088 0.81 MEN1 (0.46) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL10963390 0.81 MEN1 (0.47) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL983449 0.77 MEN1 (0.51) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL1785799 0.75 TDP2 (0.56) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL863164 0.75 MAPT (0.45) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL1633977 0.75 ADRA2A (0.46) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL29525659 0.75 ADRA2A (0.46) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL9484984 0.74 MAPT (0.63) TDP2MEN1KMT2AMAPTRAB9A
SCHEMBL1429100 0.73 MEN1 (0.51) MEN1KMT2AMAPTRAB9ACA9
SCHEMBL182798 0.73 TDP2 (0.54) TDP2MEN1KMT2AMAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed