SCHEMBL6889043

SCHEMBL6889043

CCc1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccc(C#N)cc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.59
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP19A1 P11511 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
PGR P06401 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL6465153 0.81 AR (0.76) ARLMNA
SCHEMBL6469421 0.74 AR (1.00) ARPTGDR2KMT2ALMNA
SCHEMBL6468889 0.74 AR (0.86) ARCYP19A1
SCHEMBL6889022 0.74 AR (0.68) ARCYP19A1PTGDR2
SCHEMBL6887430 0.74 AR (0.67) ARKCNJ1KCNH2
SCHEMBL6469563 0.73 AR (0.75) ARPTGDR2LMNA
SCHEMBL24414502 0.71 AR (0.80) ARCYP19A1KMT2A
SCHEMBL7353014 0.70 MAPT (0.52) KCNJ1KCNH2DCTPP1KMT2ALMNA
SCHEMBL2961542 0.70 KCNJ1 (0.55) KCNJ1KCNH2PGRKMT2ALMNA
Ethylamine SCHEMBL7017815 0.69 KCNJ1 (0.55) KCNJ1KCNH2CYP19A1PGRKMT2A

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-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed