SCHEMBL6940085

SCHEMBL6940085

CCC[C@](C(=O)NN)(C(=O)NCc1ccccc1)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
POLB P06746 1/20 0.31
AKR1C3 P42330 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
RIPK1 Q13546 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL6943697 0.89 MASP2 (0.34) MASP2MAPK8MAPK9MAPK10AKR1C3
SCHEMBL6943537 0.87 MMP1 (0.35) MASP2MAPK8MAPK9MAPK10AKR1C3
SCHEMBL6942465 0.83 PIN1 (0.32) LMNAHTTSMN1; SMN2
SCHEMBL6943055 0.82 PIN1 (0.34) MASP2LMNAHTTSMN1; SMN2
SCHEMBL6945559 0.80 PIN1 (0.37) LMNAHTTSMN1; SMN2
SCHEMBL6943182 0.79 CTSC (0.34) LMNAHTTSMN1; SMN2
SCHEMBL6945039 0.77 TGFBR1 (0.33)
SCHEMBL6985696 0.77 CTSC (0.35) MASP2LMNAHTTSMN1; SMN2
SCHEMBL6940166 0.74 TGFBR1 (0.34)
SCHEMBL6983647 0.73 TGFBR1 (0.33)

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