SCHEMBL12817652

SCHEMBL12817652

[CH2]CCN1CCc2cc(CC(C)[N+](=O)[O-])ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
SMAD3 P84022 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.34
CDK4 P11802 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL17516010 0.87 S1PR1 (0.42) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL16166497 0.86 MAPT (0.43) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL18902665 0.86 EPHX2 (0.41) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL12816502 0.80 LMNA (0.32) MAPTALDH1A1LMNAGAA
SCHEMBL16422050 0.80 MAPT (0.39) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL12816693 0.78
SCHEMBL525875 0.77 MAPT (0.46) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL525874 0.77 CTSL (0.44) ALDH1A1LMNATP53
SCHEMBL2548785 0.77 SCN1A (0.40) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL12817742 0.72 MAPT (0.47) MAPTNPC1MAPK1RAB9AMEN1

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
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO claimed
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO disclosed