SCHEMBL22018972

SCHEMBL22018972

CC(Sc1nnc(-c2ccsc2)n1-c1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL22018952 0.85 MAPT (0.60) POLBSMN1; SMN2HPGDLMNAMAPT
SCHEMBL22047016 0.83 KMT2A (0.47) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL15983340 0.81 HPGD (0.61) KMT2APOLBSMN1; SMN2HPGDLMNA
SCHEMBL22018967 0.80 ALDH1A1 (0.51) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL22018979 0.80 ALDH1A1 (0.46) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL22018968 0.75 ALDH1A1 (0.47) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL15983331 0.72 TP53 (0.45) KMT2AMEN1POLBHPGDMAPT
SCHEMBL13831858 0.71 DGAT1 (0.45) KMT2APOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6406110 0.70 HPGD (0.73) KMT2AMEN1POLBHPGDLMNA
SCHEMBL13831816 0.70 MEN1 (0.50) KMT2AMEN1POLBSMN1; SMN2HPGD

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