SCHEMBL29025571

SCHEMBL29025571

CC(C)(C)NC(=O)OCCC[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
S1PR3 Q99500 1/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL29025560 0.86 USP2 (0.43) LMNAUSP2POLBKDM4ERAB9A
SCHEMBL30504316 0.86 USP2 (0.43) LMNAUSP2POLBKDM4ERAB9A
SCHEMBL29025559 0.86 USP2 (0.43) LMNAUSP2POLBKDM4ERAB9A
SCHEMBL30504318 0.83 LMNA (0.41) LMNAUSP2KDM4EALDH1A1MAPT
SCHEMBL29025574 0.83 LMNA (0.41) LMNAUSP2KDM4EALDH1A1MAPT
SCHEMBL24302524 0.83 LMNA (0.41) LMNAUSP2KDM4EALDH1A1MAPT
SCHEMBL26667409 0.79 USP2 (0.43) LMNAUSP2POLBKDM4ERAB9A
SCHEMBL26667416 0.79 USP2 (0.43) LMNAUSP2POLBKDM4ERAB9A
SCHEMBL29025635 0.78 NPC1 (0.40) LMNAUSP2KDM4ERAB9AALDH1A1
SCHEMBL29025645 0.72 SMN1; SMN2 (0.39) LMNAPOLBKDM4EALDH1A1MAPT

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