SCHEMBL3256198

SCHEMBL3256198

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1.N#Cc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CB P42338 2/20 0.32
PLA2G2A P14555 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PDE5A O76074 1/20 0.31
GSK3B P49841 1/20 0.31
QPCT Q16769 1/20 0.31

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
SCHEMBL710542 0.86 ALDH1A1 (0.44) MAPTPKMLMNAKDM4EALDH1A1
SCHEMBL708822 0.86 PDE7A (0.36) MAPTPKMLMNAKDM4EALDH1A1
SCHEMBL709751 0.86 MAPT (0.47) MAPTPKMLMNAKDM4EALDH1A1
SCHEMBL708494 0.86 CNR1 (0.37) LMNAALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL710238 0.86 MAPT (0.46) MAPTPKMLMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL709675 0.86 ALDH1A1 (0.43) MAPTPKMLMNAKDM4EALDH1A1
SCHEMBL3248070 0.82 RAB9A (0.36) MAPTPKMKDM4EALDH1A1GLA
SCHEMBL711641 0.82 MAPT (0.38) MAPTPKMLMNAKDM4EALDH1A1
SCHEMBL3258185 0.82 RAB9A (0.37) MAPTPKMKDM4EALDH1A1GLA
SCHEMBL3254071 0.80 APP (0.40) MAPTKDM4EALDH1A1RAB9AMEN1

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 claimed