SCHEMBL5866360

SCHEMBL5866360

CC[S+](CC)c1ccc([N+](=O)[O-])c2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
CDK9 P50750 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL5866224 0.90 ALDH1A1 (0.34) CTSBKMT2AMEN1ARALDH1A1
SCHEMBL5866137 0.87 PER2 (0.32) PER2CRY1CRY2
SCHEMBL5866175 0.87 PER2 (0.32) PER2CRY1CRY2
SCHEMBL5866298 0.84 ALDH1A1 (0.31) ALDH1A1PER2CRY1CRY2
SCHEMBL5866421 0.84 AR (0.32) ARPER2CRY1CRY2
Trifluoromethanesulfonic Acid SCHEMBL646730 0.80 CTSB (0.40) CTSBARALDH1A1LMNA
SCHEMBL3118860 0.78 MMP1 (0.37) CTSBKMT2AMEN1ARALDH1A1
SCHEMBL3109622 0.78 MMP1 (0.37) CTSBKMT2AMEN1ARALDH1A1
SCHEMBL5866371 0.76 CNR2 (0.32) PER2CRY1CRY2
SCHEMBL5866347 0.76 PER2 (0.31) KMT2AMEN1PER2CRY1CRY2

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-7144675-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-12-05 US disclosed