SCHEMBL6940907

SCHEMBL6940907

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.33
CTSC P53634 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TP53 P04637 1/20 0.30
MMP1 P03956 1/20 0.30
MMP13 P45452 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
SCHEMBL6940940 0.90 ADAM17 (0.35) ADAM17CTSCMAPTSMN1; SMN2MMP9
SCHEMBL6942799 0.90 ADAM17 (0.34) ADAM17CTSCMAPTSMN1; SMN2MEN1
SCHEMBL7940341 0.89 F10 (0.32) MAPTLMNAHTTKMT2ATP53
SCHEMBL6945267 0.86 TGFBR1 (0.32)
SCHEMBL6943008 0.82 NAMPT (0.34)
SCHEMBL6943182 0.82 CTSC (0.34) ADAM17CTSCMAPTSMN1; SMN2MEN1
SCHEMBL6943697 0.82 MASP2 (0.34) CTSCMMP2MMP9MEN1KMT2A
SCHEMBL6944737 0.81 MMP9 (0.36) MAPTSMN1; SMN2MMP9MAOAMAOB
SCHEMBL6943055 0.80 PIN1 (0.34) ADAM17CTSCMAPTSMN1; SMN2MEN1
SCHEMBL6985696 0.80 CTSC (0.35) ADAM17CTSCMAPTSMN1; SMN2MEN1

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