SCHEMBL5209352

SCHEMBL5209352

CC(C)(C)S(=O)(=O)C1C(C(N)=O)SC2C=CC=CC21.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.34
F10 P00742 1/20 0.32
ADRA2C P18825 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL5204891 0.90 KMT2A (0.33) F2F10ADRA2CMEN1POLB
Trifluoroacetic Acid SCHEMBL5629214 0.82 F2 (0.32) F2F10ADRA2C
SCHEMBL5208588 0.80 F2 (0.34) F2F10ADRA2C
Trifluoroacetic Acid SCHEMBL5210666 0.80 OPRM1 (0.31) F2
Trifluoroacetic Acid SCHEMBL5626916 0.79 HDAC11 (0.32) F2
Trifluoroacetic Acid SCHEMBL5626942 0.79 FOLH1 (0.33) F2F10
Trifluoroacetic Acid SCHEMBL5627045 0.79 FOLH1 (0.39) F2F10
Trifluoroacetic Acid SCHEMBL5631027 0.77 F11 (0.32) F10MEN1KMT2A
SCHEMBL5628892 0.76 ADRA2C (0.35) F2F10ADRA2CKMT2A
SCHEMBL5626868 0.76 GLS (0.36) F2F10

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-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed