SCHEMBL3650871

SCHEMBL3650871

CC(O)C(N(NC(=O)C(O)CO)C(=O)c1c(I)cc(I)c(C(=O)NCC(O)CO)c1I)N(NC(=O)C(O)CO)C(=O)c1c(I)cc(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL3654942 0.84 LMNA (0.43) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3653094 0.84 LMNA (0.43) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3041876 0.82 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL1359643 0.78 LMNA (0.55) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL5685875 0.74 CYP2C19 (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3786684 0.74 CYP2C19 (0.33) LMNACYP2C19HIF1A
SCHEMBL11005886 0.74 CYP2C19 (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL2011397 0.72 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL16875799 0.72 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL622562 0.71 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC

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
EP-2200971-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-06-30 EP claimed
WO-2009047316-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO claimed