SCHEMBL7906221

SCHEMBL7906221

CN(C(=O)n1nnc2cc(I)ccc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 7/20 0.41
MGAM O43451 6/20 0.41
AMY1A P0DUB6 6/20 0.41
SI P14410 6/20 0.41
MGAM2 Q2M2H8 6/20 0.41
KCNMA1 Q12791 4/20 0.41
F2 P00734 2/20 0.40
HPGD P15428 2/20 0.40
SLC9A1 P19634 1/20 0.40
POLB P06746 1/20 0.38
ACHE P22303 2/20 0.37
LIPE Q05469 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL445611 0.85 GAA (0.45) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL427465 0.85 KCNMA1 (0.55) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL425552 0.84 KMT2A (0.59) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL447802 0.82 GAA (0.63) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL427449 0.77 GLA (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL427308 0.77 KMT2A (0.70) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL7899312 0.75 KMT2A (0.59) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL425440 0.74 F12 (0.60) SMN1; SMN2KMT2AKDM4EALDH1A1MAPT
SCHEMBL11358890 0.74 KCNMA1 (0.57) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL11357460 0.71 KCNMA1 (0.54) KMT2AKDM4EALDH1A1MAPTHTT

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-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed