SCHEMBL28026392

SCHEMBL28026392

C=C(C(=O)OCC)c1c[nH]c2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.64
▸ LMNA P02545 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ MITF O75030 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CPT1A P50416 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ IMPDH2 P12268 1/20 0.50
▸ IMPDH1 P20839 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL13727294 0.87 LMNA (0.64) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL2866771 0.87 NR4A2 (0.74) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL31451717 0.87 NR4A2 (0.74) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL28969556 0.84 GABRA1 (0.46) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL7170554 0.80 NR4A2 (0.57) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL28969553 0.80 GABRP (0.50) —
Ether SCHEMBL2866770 0.79 KMT2A (0.67) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL3847939 0.79 GABRA1 (0.73) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL5068806 0.78 NR4A2 (1.00) NR4A2LMNAMAPTMEN1KMT2A
SCHEMBL592889 0.78 NR4A2 (0.77) NR4A2LMNAMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945303-B preparation method of 3-alkenyl indole compound 浙江工业大学 2017-09-29 — — CN disclosed
CN-104945303-A Preparation method of 3-alkenyl indole compound UNIV ZHEJIANG TECHNOLOGY 2015-09-30 — — CN disclosed
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