SCHEMBL21782258

SCHEMBL21782258

C=CCNc1ncccc1CI

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SUMO3 P55854 1/20 0.41
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
KDM4E B2RXH2 7/20 0.40
HTT P42858 5/20 0.40
LMNA P02545 4/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 8/20 0.40
HPGD P15428 3/20 0.40
SLC2A1 P11166 1/20 0.38
RRM2 P31350 1/20 0.37
MTOR P42345 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 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
SCHEMBL2230165 0.82 SUMO3 (0.43) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL20457670 0.77 POLB (0.42) RAB9AMAPTKMT2AGAAKDM4E
SCHEMBL8434004 0.76 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL2814675 0.76 ALDH1A1 (0.49) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL7886636 0.73 CASP6 (0.35) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL20457772 0.73 GRM5 (0.37) SMN1; SMN2RAB9AMAPTKMT2AKDM4E
SCHEMBL9432628 0.72 RAB9A (0.50) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL9656952 0.72 KDM4E (0.51) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3805672 0.72 KDM4E (0.45) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL2946120 0.71 DHODH (0.54) SMN1; SMN2RAB9AMAPTMEN1KMT2A

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
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed