SCHEMBL8905505

SCHEMBL8905505

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 6/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 7/20 0.35
MAP2K2 P36507 2/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
BACE1 P56817 1/20 0.32
CNR2 P34972 1/20 0.31

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
Hydrochloric Acid SCHEMBL10429710 0.99 SMN1; SMN2 (0.56) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL619944 0.95 LMNA (0.60) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL1557465 0.93 LMNA (0.59) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL14769256 0.92 LMNA (0.56) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL9189596 0.91 LMNA (0.56) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL8378015 0.91 LMNA (0.56) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL8905699 0.90 LMNA (0.55) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL9237406 0.90 LMNA (0.55) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL30980824 0.88 LMNA (0.54) SMN1; SMN2LMNACYP2C19HIF1AEGFR
SCHEMBL10429709 0.88 LMNA (0.54) SMN1; SMN2LMNACYP2C19HIF1AEGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698739-A RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
EP-0233249-B1 NON-IONIC POLYOL CONTRAST MEDIA FROM IONIC CONTRAST MEDIA COOK IMAGING CORP (US) 1993-11-24 EP disclosed
US-4954348-A Non-ionic polyol contrast media from ionic contrast media COOK IMAGING CORPORATION (US) 1990-09-04 US disclosed