SCHEMBL22018979

SCHEMBL22018979

CC(Sc1nnc(-c2ccsc2)n1C=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
ALOX5 P09917 1/20 0.33
RET P07949 1/20 0.32
BRD4 O60885 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
SCHEMBL22018967 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL15983357 0.80 TSHR (0.41) ALDH1A1SMN1; SMN2LMNAKMT2ACYP3A4
SCHEMBL22018972 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2LMNAKMT2ACYP3A4
SCHEMBL22019400 0.79 LRRK2 (0.57) ALDH1A1SMN1; SMN2LMNAKMT2ALRRK2
SCHEMBL22018586 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2ALRRK2
SCHEMBL22047016 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAKMT2ALRRK2
SCHEMBL22018968 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2ALRRK2
SCHEMBL13831508 0.68 HPGD (0.34) ALDH1A1SMN1; SMN2LMNAKMT2ACYP3A4
SCHEMBL13831500 0.68 TP53 (0.55) SMN1; SMN2LMNAKMT2AKDM4EMEN1
SCHEMBL22018976 0.68 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed