SCHEMBL22018586

SCHEMBL22018586

CC(Sc1nnc(-c2ccoc2)n1C=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5 P09917 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 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
SCHEMBL22018988 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL15983377 0.80 ANXA2 (0.41) ALDH1A1LMNACYP3A4CYP2C19
SCHEMBL22018979 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL22018581 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL22019400 0.74 LRRK2 (0.57) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL13832335 0.70 TP53 (0.57) LMNAKMT2AKDM4EMEN1
SCHEMBL13832311 0.68 TP53 (0.39) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL13831221 0.68 DGAT1 (0.47) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL22018576 0.66 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL13831092 0.65 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2APOLB

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