SCHEMBL28026372

SCHEMBL28026372

C=C(C(=O)OCC)c1cn(C)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ KRAS P01116 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL3139376 0.87 KRAS (0.52) LMNAKRASALDH1A1SMN1; SMN2IDO1
SCHEMBL28026377 0.85 LMNA (0.44) LMNAALDH1A1MEN1KMT2AELANE
SCHEMBL15167352 0.84 LMNA (0.62) LMNAALDH1A1SMN1; SMN2IDO1MEN1
SCHEMBL28025825 0.82 NR4A2 (0.55) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28025826 0.81 MAPT (0.53) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL28026400 0.81 LMNA (0.50) LMNAKRASALDH1A1IDO1MAPK1
SCHEMBL14631424 0.76 KMT2A (0.55) LMNAIDO1MEN1KMT2ANR4A2
SCHEMBL22450675 0.75 KMT2A (0.38) LMNAIDO1MEN1KMT2ANR4A2
SCHEMBL20380252 0.75 NR4A2 (0.48) KRASALDH1A1SMN1; SMN2IDO1MEN1
SCHEMBL19202547 0.74 NR4A2 (0.64) LMNAKRASALDH1A1SMN1; SMN2MEN1

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
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