SCHEMBL4378601

SCHEMBL4378601

CC12CC(C(F)(F)F)=NN1S(=O)(=O)N(c1cccc(C#N)c1C(F)(F)F)C2=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32

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
SCHEMBL10075679 0.78 AR (0.48) AR
SCHEMBL1720400 0.78 AR (0.48) AR
SCHEMBL7136117 0.64 AR (0.55) AR
SCHEMBL5943005 0.64 TLR9 (0.46) AR
SCHEMBL7074512 0.62 AR (0.35) AR
SCHEMBL10069183 0.62 AR (0.43) AR
SCHEMBL7178500 0.62 AR (0.47) AR
SCHEMBL30366895 0.62 AR (0.46) AR
SCHEMBL6484968 0.60 ALDH1A1 (0.52) AR
SCHEMBL31131411 0.60 LRRK2 (0.37) AR

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-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 US claimed