SCHEMBL22018968

SCHEMBL22018968

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
KMT2A Q03164 3/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
ALOX5 P09917 1/20 0.33
CHEK2 O96017 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL22018537 0.84 GPR119 (0.32) ALDH1A1SMN1; SMN2GPR119KMT2AMEN1
SCHEMBL15983347 0.82 TSHR (0.40) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL22018974 0.82 TSHR (0.40) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL13831472 0.81 GPR119 (0.33) ALDH1A1SMN1; SMN2GPR119
SCHEMBL22047017 0.80 GPR119 (0.31) ALDH1A1GPR119KMT2AMEN1POLB
SCHEMBL18559190 0.80 GPR119 (0.31) GPR119
SCHEMBL13831477 0.78 DGAT1 (0.35) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL13831449 0.77 RECQL (0.34) ALDH1A1SMN1; SMN2LMNAKDM4EGPR119
SCHEMBL22018967 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL22018979 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A

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