SCHEMBL6887722

SCHEMBL6887722

Cc1c(C(=O)O)c(-c2ccc(N)c([N+](=O)[O-])c2)c(C)n1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.72
PLA2G2A P14555 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6887725 1.00 AR (0.72) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469335 0.90 AR (0.74) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469722 0.84 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469638 0.78 AR (0.83) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL29071902 0.77 AR (0.74) ARLMNATSHRSMN1; SMN2MEN1
SCHEMBL6466355 0.77 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL29071900 0.74 AR (0.70) ARLMNATSHRSMN1; SMN2MEN1
SCHEMBL6466983 0.74 AR (0.79) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469582 0.74 AR (0.79) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469575 0.74 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2

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