SCHEMBL7103578

SCHEMBL7103578

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)CCc1ccccn1)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.50
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
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
SCHEMBL7105146 0.90 ADAM17 (0.55) ADAM17TGFBR1
SCHEMBL7100568 0.89 ADAM17 (0.53) ADAM17TGFBR1
SCHEMBL6939853 0.88 ADAM17 (0.53) ADAM17CNR2MAPK1SMN1; SMN2TGFBR1
SCHEMBL7104739 0.87 ADAM17 (0.52) ADAM17
SCHEMBL6943561 0.87 ADAM17 (0.67) ADAM17TGFBR1KMT2A
SCHEMBL7100919 0.86 ADAM17 (0.51) ADAM17
SCHEMBL7104728 0.85 ADAM17 (0.69) ADAM17
Hydrochloric Acid SCHEMBL7104766 0.84 ADAM17 (0.68) ADAM17
SCHEMBL6945556 0.83 ADAM17 (0.58) ADAM17TGFBR1
SCHEMBL6947109 0.83 ADAM17 (0.57) ADAM17TGFBR1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed