SCHEMBL8312271

SCHEMBL8312271

O=C(O)c1cc(-c2ccccc2O)nc2ccc(I)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PDE10A Q9Y233 1/20 0.48
DHODH Q02127 2/20 0.47
POLB P06746 1/20 0.47
HIF1A Q16665 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
EIF4A1 P60842 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
TACR3 P29371 1/20 0.45

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
SCHEMBL19520848 0.84 MEN1 (0.73) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1901465 0.83 KDM4E (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL14511477 0.78 MCL1 (0.49) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL14537227 0.77 EIF4A1 (0.53) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL117405 0.74 EPRS1 (0.71) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL26074025 0.74 DHODH (0.60) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13919572 0.73 EIF4A1 (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL8327199 0.72 KDM4E (0.74) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL8324531 0.72 MEN1 (0.77) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1441639 0.72 ALDH1A1 (0.63) MEN1KMT2AKDM4EALDH1A1HSD17B10

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-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed