SCHEMBL22019384

SCHEMBL22019384

C=CCn1c(SC(C)C(N)=O)nnc1-c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 8/20 0.53
TSHR P16473 3/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
ATM Q13315 1/20 0.49
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL15983319 0.82 ATM (0.55) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL22019397 0.80 KDM4E (0.63) SMN1; SMN2ALDH1A1TSHRMAPTHPGD
SCHEMBL22019387 0.79 KMT2A (0.49) SMN1; SMN2ALDH1A1TSHRUSP2GAA
SCHEMBL13831436 0.72 ATM (0.76) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL14478840 0.72 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL13832319 0.71 POLB (0.59) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL13831397 0.70 ATM (0.72) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL13831402 0.69 POLB (0.55) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL13832328 0.69 POLB (0.61) SMN1; SMN2ALDH1A1TSHRMAPTUSP2
SCHEMBL14478844 0.68 ATM (0.69) SMN1; SMN2ALDH1A1TSHRMAPTUSP2

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