SCHEMBL30666151

SCHEMBL30666151

NC(=O)c1cccnc1CCCCc1ncccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SYK P43405 3/20 0.47
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
P2RX7 Q99572 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
METAP2 P50579 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 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
SCHEMBL2128697 0.92 KDM4E (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9339087 0.91 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28569250 0.91 LMNA (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5694310 0.91 LMNA (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28309513 0.91 LMNA (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23534047 0.91 LMNA (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2356492 0.91 LMNA (0.52) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4601500 0.90 KDM4E (0.54) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL62707 0.87 PARP1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL732196 0.87 PARP1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10

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
CN-117137048-A Flavor composition, food comprising the same, and method for increasing the flavor intensity of the umami taste of food 马斯公司 2023-12-01 CN claimed