SCHEMBL6942799

SCHEMBL6942799

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO)S(=O)(=O)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
CTSC P53634 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6940907 0.90 ADAM17 (0.33) ADAM17CTSCLMNAMEN1MAPT
SCHEMBL6940940 0.90 ADAM17 (0.35) ADAM17CTSCLMNAL3MBTL1MEN1
SCHEMBL6942205 0.86 TGFBR1 (0.32)
SCHEMBL6943008 0.81 NAMPT (0.34)
SCHEMBL6943182 0.81 CTSC (0.34) ADAM17CTSCLMNAL3MBTL1MEN1
SCHEMBL6985696 0.81 CTSC (0.35) ADAM17CTSCLMNAL3MBTL1MEN1
SCHEMBL6944737 0.80 MMP9 (0.36) MAPTSMN1; SMN2
SCHEMBL6943055 0.80 PIN1 (0.34) ADAM17CTSCLMNAL3MBTL1MEN1
SCHEMBL7940341 0.79 F10 (0.32) LMNAMAPTHTTKMT2A
SCHEMBL6940117 0.79 GRIK1 (0.35) LMNAMEN1MAPTKMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed