SCHEMBL5489952

SCHEMBL5489952

Cc1nccc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
SMO Q99835 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SRC P12931 2/20 0.40
FLT3 P36888 2/20 0.40
ITK Q08881 2/20 0.40
KIT P10721 1/20 0.39
DDR2 Q16832 1/20 0.39
HDAC1 Q13547 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5495156 0.99 MAPK14 (0.49) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL5488208 0.88 MAPK14 (0.49) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL5489954 0.77 GRM5 (0.44) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL5489948 0.74 MAPK14 (0.48) MAPK14SMOSMN1; SMN2TSHRRAB9A
SCHEMBL6483771 0.72 MAPK14 (0.54) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL12764388 0.71 SMN1; SMN2 (0.57) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL10130489 0.71 DDR2 (0.53) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL5480980 0.70 MAPK14 (0.46) MAPK14SMOSMN1; SMN2TSHRMAPK1
SCHEMBL12764365 0.70 SMN1; SMN2 (0.58) MAPK14SMOSMN1; SMN2TSHRRAB9A
SCHEMBL5481692 0.70 MAPK14 (0.77) MAPK14SMODDR2

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed