SCHEMBL22019616

SCHEMBL22019616

CCn1c(SCC(=O)NC2=CC=CCC2)nnc1-c1ccnc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HTT P42858 2/20 0.43
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 7/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL22019363 0.86 ALDH1A1 (0.49) ALDH1A1HTTKMT2ATP53MEN1
SCHEMBL13832029 0.83 NPSR1 (0.54) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL15986448 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL22019615 0.80 SMN1; SMN2 (0.55) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL22018795 0.79 KMT2A (0.53) ALDH1A1HTTKMT2ATP53MEN1
SCHEMBL22018910 0.76 ALDH1A1 (0.46) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL22018914 0.76 LMNA (0.44) ALDH1A1HTTKMT2ATP53MEN1
SCHEMBL22019358 0.74 KMT2A (0.45) ALDH1A1HTTKMT2ATP53MEN1
SCHEMBL15983258 0.72 NPSR1 (0.60) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL13832036 0.71 ALDH1A1 (0.60) ALDH1A1KMT2ATP53SMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed