SCHEMBL4827334

SCHEMBL4827334

CCOC(=O)c1csc(C2=C(c3ccc(F)cc3)C(=O)N[N]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
GAA P10253 1/20 0.49
MMP13 P45452 3/20 0.47
MMP1 P03956 1/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CLK1 P49759 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL31163885 0.82 RAB9A (0.69) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762848 0.76 RAB9A (0.53) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4763207 0.76 RAB9A (0.50) RAB9AGAAMMP13MMP1MAPT
SCHEMBL25716799 0.75 RAB9A (0.52) RAB9AGAAMMP13MMP1MAPT
SCHEMBL6002750 0.74 RAB9A (0.54) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4760500 0.74 TGFBR1 (0.54) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762496 0.73 RAB9A (0.47) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762149 0.72 RAB9A (0.51) RAB9AGAAMMP13MMP1MAPT
SCHEMBL13144514 0.72 MAPT (0.70) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL12582252 0.72 RAB9A (0.72) RAB9AGAAMMP13MMP1MAPT

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-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed