SCHEMBL22019347

SCHEMBL22019347

CCn1c(SC2(C(=O)NC3=CC=CCC3)CC2)nnc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TP53 P04637 1/20 0.46
HDAC2 Q92769 4/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HDAC1 Q13547 1/20 0.42
PTK2 Q05397 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.40
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
SCHEMBL22019409 0.85 ALDH1A1 (0.36) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13831993 0.81 ALDH1A1 (0.51) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13832015 0.78 KMT2A (0.51) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13832021 0.77 ALDH1A1 (0.49) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13831344 0.77 ALDH1A1 (0.49) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL22019617 0.77 ALDH1A1 (0.55) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL22018793 0.76 TP53 (0.31) ALDH1A1TP53LMNAHPGDKDM4E
SCHEMBL15983259 0.75 ALDH1A1 (0.49) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13832031 0.74 KMT2A (0.49) ALDH1A1TP53HDAC2LMNAKMT2A
SCHEMBL13831008 0.74 GAA (0.53) ALDH1A1TP53LMNAKMT2AMEN1

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