SCHEMBL14367306

SCHEMBL14367306

CCCCOc1ccc(C(=N)NC(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PLA2G4B P0C869 2/20 0.53
GAA P10253 1/20 0.51
MMP1 P03956 2/20 0.51
RARB P10826 3/20 0.50
PLK1 P53350 1/20 0.50
SPHK1 Q9NYA1 1/20 0.49

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
SCHEMBL14367487 0.83 DRD2 (0.56) KDM4E
SCHEMBL16808253 0.81 SLC2A1 (0.49) TP53TSHRSMN1; SMN2PLA2G4BMMP1
SCHEMBL28472389 0.81 TP53 (0.54) TP53TSHRKDM4EHTTSMN1; SMN2
Acetic Acid SCHEMBL5624244 0.81 KDM4E (0.57) KDM4E
SCHEMBL6407420 0.80 MMP1 (0.56) TP53TSHRKDM4ESMN1; SMN2PLA2G4B
SCHEMBL14367305 0.80 PLK1 (0.56) TP53TSHRPLA2G4BGAAMMP1
SCHEMBL19486257 0.79 ALDH1A1 (0.62) TP53TSHRPLA2G4BMMP1RARB
SCHEMBL28459280 0.79 TP53 (0.59) TP53TSHRKDM4EHTTSMN1; SMN2
SCHEMBL6960720 0.79 GAA (0.54) TP53TSHRGAA
SCHEMBL1092185 0.78 L3MBTL1 (0.85) TP53TSHRSMN1; SMN2L3MBTL1PLA2G4B

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
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed