SCHEMBL21736865

SCHEMBL21736865

CCc1ccc(N2CCCCC2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
PSMD14 O00487 1/20 0.47
USP2 O75604 1/20 0.47
MMP2 P08253 1/20 0.47
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 2/20 0.45
RAD52 P43351 1/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 3/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
HTT P42858 2/20 0.44
S100B P04271 2/20 0.43

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
SCHEMBL21736813 0.98 HPGD (0.53) HPGDPSMD14USP2MMP2MAPT
SCHEMBL14614703 0.84 KDM4E (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28001716 0.84 HPGD (0.50) HPGDPSMD14USP2MMP2MAPT
SCHEMBL14035870 0.83 MAPT (0.54) HPGDUSP2MAPTMEN1KMT2A
SCHEMBL14614512 0.83 ADRB1 (0.67) MAPTALDH1A1HTTADRB1TP53
SCHEMBL11905021 0.82 HPGD (0.49) HPGDPSMD14USP2MMP2MAPT
SCHEMBL28001394 0.82 MEN1 (0.48) HPGDPSMD14USP2MMP2MAPT
SCHEMBL11905153 0.81 HPGD (0.48) HPGDPSMD14USP2MMP2MAPT
SCHEMBL11845247 0.81 HPGD (0.48) HPGDUSP2MAPTMEN1KMT2A
SCHEMBL12875640 0.81 MEN1 (0.50) HPGDMAPTMEN1KMT2AALDH1A1

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