SCHEMBL9306542

SCHEMBL9306542

O=C(O)C(Cc1ccc(O)c(I)c1I)NI

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALB P02768 6/20 0.33
IL2 P60568 6/20 0.33
OPRK1 P41145 3/20 0.33
KDM6B O15054 1/20 0.33
TNF P01375 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
FPR2 P25090 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 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
SCHEMBL9522871 0.83 TNF (0.43) FOLH1ALBOPRK1TNFITGB2
SCHEMBL9522481 0.81 FOLH1 (0.41) FOLH1ALBIL2OPRK1ITGB2
SCHEMBL169323 0.77 LMNA (0.54) MEN1KMT2AKDM4EUSP2EGFR
SCHEMBL5319562 0.77 LMNA (0.54) MEN1KMT2AKDM4EUSP2EGFR
SCHEMBL11356756 0.74 KDM6B (0.33) MEN1KMT2AKDM6BKDM4EUSP2
SCHEMBL14151451 0.73 FOLH1 (0.64) FOLH1MEN1KMT2AALBIL2
SCHEMBL32662363 0.72 KDM6B (0.60) FOLH1MEN1KMT2AOPRK1KDM6B
SCHEMBL18800390 0.72 KDM6B (0.60) FOLH1MEN1KMT2AOPRK1KDM6B
SCHEMBL1115191 0.69 PCNA (0.52) MEN1KMT2A
SCHEMBL55971 0.69 FOLH1 (0.56) FOLH1MEN1KMT2ASLC7A5

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
US-5279812-A Polypeptide; amino acid sequence of hirudin MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-18 US disclosed