SCHEMBL7607980

SCHEMBL7607980

NCC(=O)Nc1c(I)c(C(N)=O)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5162293 0.92 LMNA (0.47) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL5033195 0.90 LMNA (0.45) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL10318442 0.89 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL1048643 0.87 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9191001 0.85 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL9171058 0.85 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9009061 0.83 LMNA (0.64) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL9194255 0.83 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL9194278 0.83 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL2763433 0.82 LMNA (0.38) LMNACYP2C19HIF1A

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
EP-0886634-B1 PROCESS FOR PRODUCING IOVERSOL MALLINCKRODT INC (US) 2002-04-24 EP claimed