SCHEMBL22018967

SCHEMBL22018967

CCn1c(SC(C)C(N)=O)nnc1-c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL22018976 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL13831816 0.82 MEN1 (0.50) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22018979 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22018532 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNATP53KDM4E
SCHEMBL15983341 0.80 TSHR (0.45) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22019389 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL22019410 0.80 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22018972 0.80 KMT2A (0.50) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22018988 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22018971 0.79 RAB9A (0.41) ALDH1A1SMN1; SMN2LMNATP53KDM4E

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