SCHEMBL10036263

SCHEMBL10036263

COc1cc([N+](=O)[O-])ccc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 3/20 0.46
KDM4E B2RXH2 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
SCHEMBL10036436 0.91 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL30306155 0.91 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL25797050 0.90 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL26464993 0.90 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL17630806 0.90 SLC6A5 (0.53) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL16305338 0.88 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1928415 0.87 ALDH1A1 (0.64) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL574625 0.87 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL574624 0.87 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL30306152 0.86 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2MAPK1

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-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed