SCHEMBL28025829

SCHEMBL28025829

C=Cc1c(C(=O)OCC)c2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TP53 P04637 1/20 0.57
LMNA P02545 2/20 0.53
AR P10275 1/20 0.50
PKM P14618 1/20 0.48
ELANE P08246 4/20 0.48
MAPK1 P28482 1/20 0.48
F2 P00734 3/20 0.46
PLAU P00749 3/20 0.46
CTRB1 P17538 3/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28026374 0.81 SMN1; SMN2 (0.53) LMNAELANEALDH1A1GAAMEN1
SCHEMBL28026378 0.81 ALDH1A1 (0.54) LMNAELANEALDH1A1GAAMEN1
SCHEMBL30415002 0.81 MAPT (0.62) MAPTTP53LMNAARPKM
SCHEMBL20267468 0.81 MAPT (0.62) MAPTTP53LMNAARPKM
SCHEMBL29712314 0.79 ALDH1A1 (0.63) MAPTTP53LMNAARPKM
SCHEMBL21462498 0.79 ALDH1A1 (0.63) MAPTTP53LMNAARPKM
SCHEMBL28025828 0.78 ALDH1A1 (0.59) MAPTLMNAELANEALDH1A1GAA
SCHEMBL9400659 0.78 MAPT (0.78) MAPTTP53LMNAARPKM
SCHEMBL29712306 0.78 MAPT (0.61) MAPTTP53LMNAARPKM
SCHEMBL20567987 0.78 MAPT (0.61) MAPTTP53LMNAARPKM

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
CN-104945303-A Preparation method of 3-alkenyl indole compound UNIV ZHEJIANG TECHNOLOGY 2015-09-30 CN disclosed