SCHEMBL22019393

SCHEMBL22019393

CC(Sc1nnc(-c2cccs2)n1C(C)c1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.54
KMT2A Q03164 3/20 0.47
CPB1 P15086 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL13832247 0.85 RECQL (0.49) KMT2ANPC1RAB9AALDH1A1CYP3A4
SCHEMBL15983297 0.82 POLB (0.46) KMT2AALDH1A1TSHRMAPK1HSD17B10
SCHEMBL22047016 0.82 KMT2A (0.47) LRRK2KMT2ALMNAALDH1A1CYP3A4
SCHEMBL22019401 0.80 CPB1 (0.68) LRRK2KMT2ACPB1LMNANPC1
SCHEMBL13831370 0.80 NPSR1 (0.46) KMT2ANPC1RAB9AALDH1A1CYP3A4
SCHEMBL22019405 0.80 LRRK2 (0.58) LRRK2KMT2ACPB1LMNANPC1
SCHEMBL22019389 0.80 ALDH1A1 (0.58) LRRK2KMT2ALMNANPC1RAB9A
SCHEMBL22019400 0.79 LRRK2 (0.57) LRRK2KMT2ACPB1LMNANPC1
SCHEMBL22018581 0.77 KMT2A (0.47) KMT2ALMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL13832263 0.76 NPSR1 (0.67) KMT2ALMNAALDH1A1TSHRMAPK1

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