SCHEMBL22018952

SCHEMBL22018952

CC(Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
HPGD P15428 2/20 0.54
HDAC2 Q92769 3/20 0.54
PTK2 Q05397 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
HSD17B10 Q99714 2/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL22018972 0.85 KMT2A (0.50) MAPTHPGDHDAC6ALDH1A1POLB
SCHEMBL15983268 0.80 HPGD (0.69) MAPTHPGDPTK2ALDH1A1POLB
SCHEMBL21123650 0.78 TP53 (0.78) MAPTHPGDHDAC2PTK2HDAC3
SCHEMBL6406110 0.78 HPGD (0.73) MAPTHPGDALDH1A1POLBHSD17B10
SCHEMBL18558946 0.74 ALDH1A1 (0.55) MAPTHPGDALDH1A1POLBHSD17B10
SCHEMBL15983427 0.74 ALDH1A1 (0.55) MAPTHPGDALDH1A1POLBHSD17B10
SCHEMBL6402672 0.74 DGAT1 (0.57) MAPTHPGDALDH1A1POLBHSD17B10
SCHEMBL6406153 0.73 HPGD (0.58) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL6209335 0.72 LMNA (0.77) MAPTHDAC2PTK2HDAC3HDAC1
SCHEMBL6274942 0.72 MAPT (0.47) MAPTHPGDHDAC2PTK2HDAC3

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