SCHEMBL4649040

SCHEMBL4649040

Cc1ccccc1S/C=C/C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.49
MMP2 P08253 6/20 0.49
MMP9 P14780 6/20 0.49
EGFR P00533 6/20 0.49
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.45
TGM2 P21980 1/20 0.45
NMT1 P30419 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL4649042 1.00 MMP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4644234 0.86 MMP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4644230 0.86 MMP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4646534 0.85 RAB9A (0.57) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4646530 0.85 RAB9A (0.57) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4647880 0.82 MMP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4647874 0.82 MMP1 (0.49) MMP1MMP2MMP9EGFRMAOB
SCHEMBL4646195 0.81 EGFR (0.47) MMP1MMP2MMP9EGFRMAOB
SCHEMBL6946687 0.80 NPSR1 (0.42) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL6946681 0.80 NPSR1 (0.42) MMP1MMP2MMP9EGFRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed