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SCHEMBL11523181

SCHEMBL11523181

CC(C)(CO)NC(=O)c1c(I)c(NC(=O)COCCOCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC(C)(C)CO)c2I)c(I)c(C(=O)O)c1I

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL11522281 0.89 LMNA (0.45) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11521316 0.84 TSHR (0.49) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11521895 0.82 LMNA (0.51) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11521825 0.80 LMNA (0.44) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11567195 0.79 KMT2A (0.34) LMNASMN1; SMN2KMT2ACNR1CNR2
SCHEMBL11545376 0.78 LMNA (0.46) LMNASMN1; SMN2TSHRMAPK1
Ammonia Solution, Strong SCHEMBL11547117 0.77 LMNA (0.45) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11521489 0.75 KMT2A (0.37) LMNAKMT2ACNR1CNR2
SCHEMBL11521203 0.74 LMNA (0.49) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL11629298 0.73 LMNA (0.36) LMNASMN1; SMN2TSHRMAPK1

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