SCHEMBL28026374

SCHEMBL28026374

C=Cc1c(C(=O)OCC)c2cc(Br)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 6/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ELANE P08246 1/20 0.45
APAF1 O14727 1/20 0.45
SMAD3 P84022 1/20 0.45
ALOX15 P16050 1/20 0.44

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
SCHEMBL28026378 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL21954348 0.83 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL28025828 0.82 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL28025829 0.81 MAPT (0.61) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL28026401 0.81 MAPT (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EGAA
SCHEMBL25941571 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL22528411 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL3206351 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL18548900 0.78 LMNA (0.58) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL15966805 0.77 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E

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