SCHEMBL5593350

SCHEMBL5593350

Cc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCOCC2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 3/20 0.49
SLC6A5 Q9Y345 2/20 0.48
ALDH1A1 P00352 7/20 0.47
SLC6A9 P48067 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3R2 O00459 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
PIK3R3 Q92569 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5593509 0.81 GAA (0.44) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL5593513 0.81 GAA (0.44) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL14473328 0.79 ALDH1A1 (0.43) SMN1; SMN2MAPTRAB9AALDH1A1HTT
Hydrochloric Acid SCHEMBL5593031 0.78 ALDH1A1 (0.42) SMN1; SMN2MAPTRAB9AALDH1A1HTT
SCHEMBL17979844 0.77 SMN1; SMN2 (0.70) SMN1; SMN2MAPTRAB9AGAAKDM4E
SCHEMBL5593426 0.75 GABRA1 (0.43) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL5604172 0.72 MAPT (0.49) SMN1; SMN2MAPTRAB9AGAAKDM4E
SCHEMBL5593369 0.70 ALDH1A1 (0.40) SMN1; SMN2MAPTRAB9AGAAKDM4E
SCHEMBL31205210 0.69 RAF1 (0.52) SMN1; SMN2MAPTRAB9ASLC6A5ALDH1A1
SCHEMBL4020263 0.69 RAB9A (0.57) SMN1; SMN2MAPTRAB9AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed