Indole

Indole

SCHEMBL29130809

CCOC(=O)c1cc2ccccc2[nH]1.c1ccc2[nH]ccc2c1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
HPGD P15428 4/20 0.65
ALDH1A1 P00352 3/20 0.65
RAB9A P51151 3/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
GLA P06280 1/20 0.65
GAA P10253 1/20 0.65
KMT2A Q03164 1/20 0.65
ATM Q13315 1/20 0.65
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MMP13 P45452 5/20 0.54
MMP2 P08253 4/20 0.54

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
SCHEMBL42002 0.90 KDM4E (0.78) KDM4EHPGDALDH1A1RAB9ALMNA
SCHEMBL29580772 0.90 KDM4E (0.78) KDM4EHPGDALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL9036642 0.89 KDM4E (0.76) KDM4EHPGDALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL16115604 0.89 KDM4E (0.76) KDM4EHPGDALDH1A1RAB9ALMNA
SCHEMBL6517125 0.89 KDM4E (0.55) KDM4EHPGDALDH1A1RAB9ALMNA
Indole-2-Carboxylic Acid SCHEMBL14158279 0.85 KDM4E (0.70) KDM4EHPGDALDH1A1RAB9ALMNA
SCHEMBL7169528 0.79 KDM4E (0.61) KDM4EHPGDALDH1A1RAB9ALMNA
SCHEMBL5567460 0.79 KDM4E (1.00) KDM4EHPGDALDH1A1RAB9ALMNA
Indole SCHEMBL27452609 0.79 TRPA1 (0.55) KDM4EHPGDALDH1A1RAB9ALMNA
Indole SCHEMBL31454017 0.79 TRPA1 (0.55) KDM4EHPGDALDH1A1RAB9ALMNA

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-114292153-B Efficient synthesis method of aryl halide 南通大学 2023-12-22 CN disclosed