SCHEMBL29720969

SCHEMBL29720969

NC(CC(=O)O)c1ccc(Cl)cc1.[N]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.62
MEN1 O00255 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
KMT2A Q03164 2/20 0.62
GABBR2 O75899 3/20 0.61
GABBR1 Q9UBS5 3/20 0.61
LMNA P02545 2/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
NFKB1 P19838 1/20 0.61
DRD3 P35462 1/20 0.61
BLM P54132 1/20 0.61
CYP1A2 P05177 1/20 0.61
THRB P10828 1/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.51
FFAR1 O14842 1/20 0.47
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL5721009 0.98 CYP2C9 (0.64) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL390335 0.98 CYP2C9 (0.64) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL390336 0.98 CYP2C9 (0.64) CYP2C9MEN1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL20446442 0.96 CYP2C9 (0.62) CYP2C9MEN1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL18130541 0.96 CYP2C9 (0.62) CYP2C9MEN1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL18130542 0.96 CYP2C9 (0.62) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL6965546 0.82 FFAR1 (0.50) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL390453 0.82 CYP2C9 (0.50) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL14785618 0.82 CYP2C9 (0.50) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL19810879 0.82 CYP2C9 (0.50) CYP2C9MEN1CYP2D6CYP2C19KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670120-A Process for preparing carboxylic cyclic anhydride 北京大学 2023-08-29 CN claimed
CN-114634460-A Process for preparing carboxyanhydrides 北京大学 2022-06-17 CN claimed
CN-116670120-A Process for preparing carboxylic cyclic anhydride 北京大学 2023-08-29 CN disclosed
WO-2022127704-A1 PROCESS FOR PREPARING CARBOXYL CYCLIC ACID ANHYDRIDE 北京大学 2022-06-23 WO disclosed
CN-114634460-A Process for preparing carboxyanhydrides 北京大学 2022-06-17 CN disclosed