SCHEMBL3254071

SCHEMBL3254071

N#Cc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccnc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
SNCA P37840 3/20 0.40
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 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
SCHEMBL708822 0.91 PDE7A (0.36) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3254604 0.90 MAPT (0.39) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3253737 0.88 L3MBTL1 (0.41) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL916535 0.87 APP (0.37) APPSNCAHTTMAPTMEN1
SCHEMBL710143 0.86 CNR1 (0.47) APPSNCAHTTMAPTMEN1
SCHEMBL916466 0.86 SMN1; SMN2 (0.41) APPSNCAHTTMAPTMEN1
SCHEMBL710094 0.84 PDE7A (0.36) SNCAHTTMAPTMEN1KMT2A
SCHEMBL917044 0.84 HTT (0.38) APPSNCAHTTMAPTMEN1
SCHEMBL10131506 0.84 HTT (0.38) APPSNCAHTTMAPTMEN1
SCHEMBL916327 0.84 HTT (0.38) HTTMAPTMEN1KMT2AKDM4E

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