SCHEMBL28026401

SCHEMBL28026401

C=Cc1c(C(=O)OCC)c2cc(Br)ccc2n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
PKM P14618 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
PLA2G2A P14555 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
RAD52 P43351 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 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
SCHEMBL28026397 0.87 KDM4E (0.56) MAPTPKMGAAKDM4ELMNA
SCHEMBL28026374 0.81 SMN1; SMN2 (0.53) GAAKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL4414074 0.76 NOD2 (0.65) MAPTPKMGAAKDM4ELMNA
SCHEMBL8292054 0.75 PLA2G2A (0.70) MAPTPKMGAAKDM4ELMNA
SCHEMBL28026390 0.75 KDM4E (0.60) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL803358 0.73 MAPT (1.00) MAPTPKMGAAKDM4ELMNA
SCHEMBL4257391 0.73 MAPT (0.48) MAPTPKMGAAKDM4ELMNA
SCHEMBL7613284 0.73 MAPT (0.53) MAPTPKMGAAKDM4ELMNA
SCHEMBL3388130 0.71 MAPT (0.76) MAPTPKMGAAKDM4ELMNA
SCHEMBL31693313 0.70 GAA (0.72) MAPTPKMGAAKDM4ELMNA

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