SCHEMBL528341

SCHEMBL528341

COc1cc(I)c(C(=O)N(CCOCCO[Si](C)(C)CC(C)C)c2ccnc3cc4c(cc23)OCO4)cc1OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 3/20 0.31
PKM P14618 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
SCHEMBL240824 0.89 ALDH1A1 (0.33) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL238449 0.83 HTR2C (0.41) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL4986665 0.82 GABRA1 (0.40) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL13993580 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL239478 0.82 KMT2A (0.43) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL240763 0.82 KMT2A (0.42) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL242365 0.81 HTR1A (0.38)
SCHEMBL243661 0.80 EHMT2 (0.42) TDP1
SCHEMBL242600 0.77 ALDH1A1 (0.36) ALDH1A1NPSR1LMNAHTTSMN1; SMN2
SCHEMBL238448 0.77 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAHTTSMN1; SMN2

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
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed