SCHEMBL22018988

SCHEMBL22018988

CCn1c(SC(C)C(N)=O)nnc1-c1ccoc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
ADRB2 P07550 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL22018576 0.83 SMN1; SMN2 (0.64) ALDH1A1POLBSMN1; SMN2LMNAGAA
SCHEMBL13831092 0.82 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL22018586 0.81 ALDH1A1 (0.46) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL15983365 0.80 LMNA (0.47) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL22018967 0.79 ALDH1A1 (0.51) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL22018989 0.78 SMN1; SMN2 (0.46) ALDH1A1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL22018581 0.78 KMT2A (0.47) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL22019389 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13830953 0.75 GAA (0.47) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL15986540 0.74 LMNA (0.62) 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