SCHEMBL29025575

SCHEMBL29025575

NC(=O)OCCCC(c1nc2ccccc2o1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ADORA2A P29274 1/20 0.42
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38

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
SCHEMBL29025572 1.00 MAPT (0.42) MAPTTDP1LMNAUSP2ADORA2A
SCHEMBL29025635 0.84 NPC1 (0.40) MAPTTDP1LMNAUSP2ADORA2A
SCHEMBL29025546 0.81 ALDH1A1 (0.44) MAPTTDP1LMNAHDAC3HDAC4
SCHEMBL29025543 0.81 ALDH1A1 (0.44) MAPTTDP1LMNAHDAC3HDAC4
SCHEMBL29025638 0.77 UTS2R (0.43) MAPTTDP1LMNAUSP2ADORA2A
SCHEMBL30504316 0.75 USP2 (0.43) MAPTLMNAUSP2ALDH1A1HSD17B10
SCHEMBL29025560 0.75 USP2 (0.43) MAPTLMNAUSP2ALDH1A1HSD17B10
SCHEMBL29025559 0.75 USP2 (0.43) MAPTLMNAUSP2ALDH1A1HSD17B10
SCHEMBL30504331 0.69 RAB9A (0.40) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL29025539 0.69 RAB9A (0.40) LMNAHDAC3HDAC1HDAC2HDAC8

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-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed