SCHEMBL27448441

SCHEMBL27448441

COC(=O)c1ccc([N+](=O)[O-])c(OC(C)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
SIRT6 Q8N6T7 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CHEK1 O14757 1/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 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
SCHEMBL4995662 0.87 SMN1; SMN2 (0.46) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL27548059 0.85 TSHR (0.54) TSHRALDH1A1TDP1KDM4ECYP3A4
SCHEMBL28775541 0.82 TSHR (0.51) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL643873 0.80 SMN1; SMN2 (0.44) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL647368 0.79 SMN1; SMN2 (0.47) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL17184346 0.79 SMN1; SMN2 (0.47) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL27797779 0.77 SMN1; SMN2 (0.46) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL27750330 0.76 TSHR (0.49) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL29959661 0.75 TSHR (0.70) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL307312 0.75 TSHR (0.70) SMN1; SMN2KMT2AMEN1TSHRALDH1A1

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
CN-1181818-C Method for treating protozoal infections 阿莱格亨尼健康科学大学 2004-12-29 CN disclosed
CN-1136451-C Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ��ũҵ��ѧ��˾ 2004-01-28 CN disclosed
CN-1211736-A Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 1999-03-24 CN disclosed
CN-1198330-A Method for treating protozoal infections ALLEGHENY UNIVERSITY OF THE HE (US) 1998-11-11 CN disclosed