SCHEMBL22019397

SCHEMBL22019397

C=CCn1c(SC(C)C(N)=O)nnc1-c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 11/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 3/20 0.62
HSD17B10 Q99714 4/20 0.61
LRRK2 Q5S007 2/20 0.54
TSHR P16473 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.49
STAT6 P42226 1/20 0.48
CPB1 P15086 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL22019389 0.86 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL22019401 0.83 CPB1 (0.68) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL15983284 0.81 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL22019400 0.81 LRRK2 (0.57) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL14478848 0.81 KDM4E (0.81) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL22019405 0.80 LRRK2 (0.58) KDM4EALDH1A1KMT2AMEN1LRRK2
SCHEMBL22019384 0.80 SMN1; SMN2 (0.53) ALDH1A1KMT2AHPGDMAPTHSD17B10
SCHEMBL22019393 0.76 LRRK2 (0.54) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL22046601 0.73 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL13832067 0.72 KMT2A (0.75) KDM4EALDH1A1KMT2AMEN1HPGD

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