SCHEMBL22018989

SCHEMBL22018989

CCn1c(SC2(C(N)=O)CCCC2)nnc1-c1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ADRB2 P07550 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALPG P10696 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13830991 0.83 ALDH1A1 (0.46) SMN1; SMN2GAAALDH1A1TP53HTT
SCHEMBL22018966 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ADRB2APOBEC3AAPOBEC3GGAA
SCHEMBL15983372 0.80 GAA (0.44) ADRB2APOBEC3AAPOBEC3GGAAALDH1A1
SCHEMBL22018576 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ADRB2APOBEC3AAPOBEC3GGAA
SCHEMBL13830838 0.79 GAA (0.47) SMN1; SMN2GAAALDH1A1TP53HTT
SCHEMBL22019617 0.79 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL22018988 0.78 ALDH1A1 (0.51) SMN1; SMN2ADRB2APOBEC3AAPOBEC3GGAA
SCHEMBL22019394 0.77 ALDH1A1 (0.54) SMN1; SMN2GAAALDH1A1KDM4EHSD17B10
SCHEMBL22019410 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ADRB2APOBEC3AAPOBEC3GGAA
SCHEMBL13832323 0.76 LMNA (0.44) GAAALDH1A1TP53LMNAKMT2A

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