SCHEMBL3254604

SCHEMBL3254604

N#Cc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 3/20 0.37
PDE7A Q13946 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 1/20 0.36
LRRK2 Q5S007 3/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35

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
SCHEMBL3254071 0.90 APP (0.40) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL708822 0.90 PDE7A (0.36) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL3253737 0.88 L3MBTL1 (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL711641 0.88 MAPT (0.38) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL710094 0.86 PDE7A (0.36) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL709751 0.86 MAPT (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL708821 0.86 CNR1 (0.44) MAPTALDH1A1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL710238 0.85 MAPT (0.46) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL13356741 0.83 CYP19A1 (0.42) ALDH1A1HTTMEN1KMT2ACYP19A1
SCHEMBL915440 0.83 MAPT (0.39) MAPTALDH1A1HTTMEN1KMT2A

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
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed