SCHEMBL6942441

SCHEMBL6942441

CC(C)C[C@@H](C(=O)NN(c1ccccc1)S(C)(=O)=O)[C@H](CC=Cc1ccc([N+](=O)[O-])cc1)C(=O)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
P2RX3 P56373 1/20 0.31
CACNA1B Q00975 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APBA1 Q02410 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TGFBR1 P36897 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6944673 0.97 ADAM17 (0.46) ADAM17GRIK1GRIK2HPGDMAPT
SCHEMBL6947352 0.93 ADAM17 (0.51) ADAM17P2RX3ALDH1A1TGFBR1KMT2A
SCHEMBL6942385 0.90 ADAM17 (0.45) ADAM17SMN1; SMN2FCER2P2RX3ALDH1A1
SCHEMBL6945960 0.89 ADAM17 (0.51) ADAM17P2RX3TGFBR1
SCHEMBL6943250 0.89 ADAM17 (0.50) ADAM17GRIK1GRIK2HPGDSMN1; SMN2
SCHEMBL6940024 0.88 ADAM17 (0.48) ADAM17GRIK1GRIK2SMN1; SMN2MMP1
SCHEMBL6943306 0.87 ADAM17 (0.45) ADAM17MMP1P2RX3TGFBR1
SCHEMBL6940527 0.86 ADAM17 (0.46) ADAM17P2RX3ALDH1A1TGFBR1
SCHEMBL6942478 0.85 ADAM17 (0.41) ADAM17MMP1P2RX3ALDH1A1TGFBR1
SCHEMBL6946107 0.85 ADAM17 (0.38) ADAM17MMP1P2RX3

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