SCHEMBL7941767

SCHEMBL7941767

CCn1c(C)nn(-c2cc(NS(=O)(=O)CC)c(C#N)cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.36
BRD4 O60885 1/20 0.35
AR P10275 2/20 0.34
PPOX P50336 1/20 0.34
PSIP1 O75475 1/20 0.33
DHODH Q02127 7/20 0.33
SLC22A12 Q96S37 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
CTSK P43235 1/20 0.31
OPRK1 P41145 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
SCHEMBL6307788 0.87 CTSK (0.36) PGRBRD4ARDHODHCTSK
SCHEMBL6310920 0.87 PGR (0.35) PGRBRD4ARPSIP1DHODH
SCHEMBL6308458 0.80 PGR (0.40) PGRBRD4ARDHODHCTSK
SCHEMBL7157679 0.80 PGR (0.39) PGRBRD4ARDHODHCTSK
SCHEMBL6310409 0.80 PGR (0.39) PGRBRD4ARDHODH
Potassium SCHEMBL7157685 0.80 PGR (0.39) PGRBRD4ARDHODHCTSK
SCHEMBL6307815 0.79 PPOX (0.38) PPOXDHODH
SCHEMBL6310318 0.79 CTSK (0.36) ARPPOXDHODHCTSK
SCHEMBL6729309 0.78 DHODH (0.44) PGRBRD4ARPSIP1DHODH
SCHEMBL7754754 0.78 AR (0.38) PGRBRD4ARPSIP1SLC22A12

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
US-6297192-B1 MIXTURES OF HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed