SCHEMBL21736852

SCHEMBL21736852

CCc1ccc(N2CCCCC2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL21736882 0.98 MAPT (0.41) PRMT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL573806 0.80 LMNA (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL14036785 0.79 LMNA (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL12875640 0.79 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL21736792 0.77 L3MBTL1 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL14036781 0.77 LMNA (0.51) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL21736865 0.77 HPGD (0.55) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL22043130 0.77 PRMT6 (0.38) PRMT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL1599621 0.76 HTT (0.46) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16404654 0.76 TDP1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed