SCHEMBL5700980

SCHEMBL5700980

COC(=O)C[C@@H](NCS(C)(=O)=O)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
F10 P00742 1/20 0.37
TNF P01375 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
GRIA4 P48058 1/20 0.34
KCNA5 P22460 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
DHFR P00374 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5700874 0.81 F2 (0.40) MAPTRAB9AALDH1A1HTTF2
SCHEMBL5700864 0.78 KMT2A (0.44) MAPTRAB9AALDH1A1HTTF2
SCHEMBL5700869 0.78 KMT2A (0.44) MAPTRAB9AALDH1A1HTTF2
SCHEMBL5700833 0.76 ALDH1A1 (0.52) ALDH1A1KMT2ATSHR
SCHEMBL5700825 0.76 ALDH1A1 (0.52) ALDH1A1KMT2ATSHR
SCHEMBL5701026 0.75 ALDH1A1 (0.51) MAPTRAB9AALDH1A1HTTF2
SCHEMBL8298418 0.73 MAPT (0.45) MAPTRAB9AALDH1A1HTTF2
SCHEMBL6497055 0.73 MAPT (0.45) MAPTRAB9AALDH1A1HTTF2
SCHEMBL5700987 0.73 MAPT (0.38) MAPTRAB9AALDH1A1HTTF2
SCHEMBL4029008 0.72 TSHR (0.41) MAPTRAB9AALDH1A1HTTF2

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed