SCHEMBL29025537

SCHEMBL29025537

NC(=O)OCCC[C@@H](c1ncc(-c2ccccc2)[nH]1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 8/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRS3 P32247 1/20 0.36
TNF P01375 3/20 0.36
LMNA P02545 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36

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
SCHEMBL29025539 1.00 RAB9A (0.40) RAB9APDE10AHDAC1HDAC3HDAC2
SCHEMBL30504331 1.00 RAB9A (0.40) RAB9APDE10AHDAC1HDAC3HDAC2
SCHEMBL29025647 0.85 SSTR1 (0.41) HDAC1TNFSSTR1SSTR3
SCHEMBL26667437 0.82 HDAC1 (0.40) RAB9APDE10AHDAC1HDAC3HDAC2
SCHEMBL26667443 0.82 HDAC1 (0.40) RAB9APDE10AHDAC1HDAC3HDAC2
SCHEMBL29025575 0.69 MAPT (0.42) RAB9AHDAC1HDAC3HDAC2HDAC8
SCHEMBL29025572 0.69 MAPT (0.42) RAB9AHDAC1HDAC3HDAC2HDAC8
SCHEMBL29025649 0.69 FAAH (0.43) LMNA
SCHEMBL30504316 0.68 USP2 (0.43) RAB9ATNFLMNA
SCHEMBL29025559 0.68 USP2 (0.43) RAB9ATNFLMNA

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