SCHEMBL28025828

SCHEMBL28025828

C=Cc1c(C(=O)OCC)c2ccccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 3/20 0.52
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL28026390 0.85 KDM4E (0.60) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28026374 0.82 SMN1; SMN2 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL28026378 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL30228513 0.81 KDM4E (0.66) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL2880955 0.81 KDM4E (0.66) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL28026397 0.81 KDM4E (0.56) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL27765520 0.81 KDM4E (0.61) ALDH1A1KDM4ELMNAGABRPGABRD
Hydrochloric Acid SCHEMBL30228556 0.80 KDM4E (0.64) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL5240303 0.79 KDM4E (0.63) ALDH1A1KDM4ELMNAGABRPGABRD
SCHEMBL28025829 0.78 MAPT (0.61) ALDH1A1KDM4ELMNASMN1; SMN2GAA

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