SCHEMBL29922600

SCHEMBL29922600

CC(C)CNc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
MAPT P10636 6/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL3650531 1.00 IDO1 (0.49) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL6249635 0.84 IDO1 (0.57) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL21799867 0.84 MAPT (0.39) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL8046096 0.84 MAPT (0.47) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL29922400 0.84 MAPT (0.39) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL1772181 0.82 CYP3A4 (0.46) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL21799823 0.82 MAPT (0.38) IDO1MAPTGAAKDM4EKMT2A
SCHEMBL21799996 0.80 MAPT (0.39) MAPTGAAKDM4EKMT2ALMNA
SCHEMBL29922652 0.80 MAPT (0.39) MAPTGAAKDM4EKMT2ALMNA
SCHEMBL29922638 0.80 CYP1A2 (0.42) MAPTGAAKDM4EKMT2ALMNA

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