Indole

Indole

SCHEMBL7704076

O=CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.c1ccc2[nH]ccc2c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.57
ACE P12821 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
ITGB2 P05107 3/20 0.52
ICAM1 P05362 3/20 0.52
ITGAL P20701 3/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
ECE1 P42892 2/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51

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
Indole SCHEMBL27577896 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
SCHEMBL120493 0.91 ALOX15 (0.67) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
SCHEMBL29402200 0.91 ALOX15 (0.67) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
SCHEMBL5519036 0.91 ALOX15 (0.67) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
SCHEMBL120495 0.91 ALOX15 (0.67) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
Abrine (L) SCHEMBL27479904 0.86 ALOX15 (0.60) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
Bromobenzene SCHEMBL27477821 0.85 FPR2 (0.64) ALDH1A1ALOX15ACESMN1; SMN2ITGB2
Dl-Tryptophan SCHEMBL1981755 0.80 KMT2A (0.80) ALDH1A1ALOX15SMN1; SMN2KDM4EMAPT
Tryptophan SCHEMBL1981758 0.80 KMT2A (0.80) ALDH1A1ALOX15SMN1; SMN2KDM4EMAPT
D-Tryptophan SCHEMBL16390702 0.80 KMT2A (0.80) ALDH1A1ALOX15SMN1; SMN2KDM4EMAPT

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
US-6355416-B1 A NONRADIOACTIVE TRACER METHOD TO DETERMINE DNA SYNTHESIS BY ADMINISTERING STABLE ISOTOPE LABELLED PRECURSORS TO A SAMPLE THAT CONTAINS REPLICATING DNA WHICH IS INCORPORATED BY METABOLIC SALVAGE PATHWAY; DETECT THE ISOTOPE BY SPECTROMETER THE GEORGE WASHINGTON UNIVERSITY 2002-03-12 US disclosed