SCHEMBL22018976

SCHEMBL22018976

CCCC(Sc1nnc(-c2ccsc2)n1CC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 2/20 0.38
PTK2 Q05397 1/20 0.38
HDAC2 Q92769 1/20 0.38
ADRB2 P07550 1/20 0.37

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
SCHEMBL22018967 0.86 ALDH1A1 (0.51) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL15983338 0.82 LMNA (0.46) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL22046601 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22018532 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL22018971 0.77 RAB9A (0.41) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL22019410 0.76 SMN1; SMN2 (0.41) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL13831446 0.75 GAA (0.45) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL13831480 0.74 LMNA (0.42) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL22018966 0.74 SMN1; SMN2 (0.42) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL13831873 0.74 ALDH1A1 (0.45) ALDH1A1MEN1POLBKMT2ALMNA

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