SCHEMBL29922652

SCHEMBL29922652

CCC(CC)CNc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
APP P05067 1/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21799996 1.00 MAPT (0.39) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8102698 0.87 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL21799823 0.83 MAPT (0.38) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL3650531 0.80 IDO1 (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL29922600 0.80 IDO1 (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL650708 0.77 MAPT (0.47) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL29922726 0.77 MAPT (0.47) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL21799867 0.77 MAPT (0.39) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8046096 0.77 MAPT (0.47) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL29922400 0.77 MAPT (0.39) MAPTGAAKDM4EALDH1A1MEN1

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-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed