SCHEMBL29933952

SCHEMBL29933952

CC1(Nc2ncc(C(N)=O)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 6/20 0.39
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK8 P45983 2/20 0.36
GSK3B P49841 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL29933906 0.94 FFAR2 (0.43) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL3129613 0.76 RAB9A (0.58) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL19710761 0.76 MAPK14 (0.57) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL4557739 0.72 MAPK14 (0.50) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL14887666 0.70 FFAR2 (0.46) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL4729955 0.68 MAPK13 (0.48) FFAR2SMN1; SMN2RAB9AMAPK14KDM4E
SCHEMBL27848064 0.68 FYN (0.46) FFAR2MAPK14GSK3BDYRK1ADYRK1B
SCHEMBL28790897 0.67 MAPK14 (0.44) FFAR2SMN1; SMN2RAB9AMAPK14NPC1
SCHEMBL27829685 0.67 MAPK14 (0.44) FFAR2SMN1; SMN2RAB9AMAPK14NPC1
SCHEMBL29606406 0.67 MAPK14 (0.54) FFAR2SMN1; SMN2RAB9AMAPK14ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed