SCHEMBL11522281

SCHEMBL11522281

COCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NC(C)(C)CO)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.32
HPGD P15428 3/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11521825 0.91 LMNA (0.44) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11523181 0.89 LMNA (0.36) LMNATSHRMAPK1SMN1; SMN2CNR1
SCHEMBL11545376 0.89 LMNA (0.46) LMNATSHRMAPK1SMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL11547117 0.88 LMNA (0.45) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11521316 0.85 TSHR (0.49) LMNATSHRMAPK1SMN1; SMN2CNR1
SCHEMBL4311751 0.84 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11521895 0.83 LMNA (0.51) LMNATSHRMAPK1SMN1; SMN2CNR1
Hydrochloric Acid SCHEMBL1020768 0.83 LMNA (0.46) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL11567195 0.82 KMT2A (0.34) LMNASMN1; SMN2CNR1CNR2KMT2A
SCHEMBL11406813 0.82 LMNA (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD

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
US-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US claimed
US-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed