Indole

Indole

SCHEMBL25323976

Cc1cc2c([N+](=O)[O-])cccc2[nH]1.c1ccc2[nH]ccc2c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TRPA1 O75762 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
AHR P35869 1/20 0.44
ADK P55263 1/20 0.44
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP1A2 P05177 1/20 0.40
NOS1 P29475 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL30265931 0.86 TDP1 (0.52) HRH4ALDH1A1GAAMGAMSI
SCHEMBL1002018 0.86 TDP1 (0.52) HRH4ALDH1A1GAAMGAMSI
Indole SCHEMBL27976837 0.80 TRPA1 (0.63) ALDH1A1TRPA1CA1CA2ITGB2
2-Methylindole SCHEMBL2683930 0.74 AHR (0.63) HRH4ALDH1A1TRPA1CA1CA2
SCHEMBL15829455 0.74 HRH4 (0.48) HRH4ALDH1A1GAAMGAMSI
SCHEMBL29471420 0.72 ALDH1A1 (0.64) HRH4ALDH1A1AHRGAACYP1A2
SCHEMBL28549 0.72 ALDH1A1 (0.64) HRH4ALDH1A1AHRGAACYP1A2
2-Nitrobenzaldehyde SCHEMBL27857126 0.71 TRPA1 (0.50) ALDH1A1TRPA1CA1CA2ITGB2
SCHEMBL19410285 0.71 ALDH1A1 (0.48) ALDH1A1GAANOS1TDP1MAPT
SCHEMBL21496937 0.71 ALDH1A1 (0.48) HRH4ALDH1A1GAANOS1TDP1

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
WO-2023143247-A1 LINKER FOR CHARACTERIZING SEQUENCING OF TARGET POLYNUCLEOTIDE, CONSTRUCT, METHOD, AND USE 成都齐碳科技有限公司 2023-08-03 WO disclosed