SCHEMBL29113232

SCHEMBL29113232

COc1cnccc1Cl.O=CCl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NFE2L2 Q16236 2/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 2/20 0.39
MAPT P10636 1/20 0.38
TGM2 P21980 1/20 0.38
ALPL P05186 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ERN1 O75460 3/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAA P10253 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
Formic Acid Methyl Ester SCHEMBL27841730 0.93 CA12 (0.41) CA12CA1CA2CA9NFE2L2
SCHEMBL29682155 0.92
SCHEMBL10549246 0.92
SCHEMBL29113235 0.87 CA12 (0.42) CA12CA1CA2CA9TGM2
Acetic Acid SCHEMBL27841728 0.85 KDM4C (0.41) CA12CA1CA2CA9TGM2
SCHEMBL11541406 0.78 PTGS1 (0.51) CA12CA1CA2CA9PTGS1
SCHEMBL9372692 0.77
SCHEMBL5700142 0.75
Formic Acid SCHEMBL28858365 0.74 CA12 (0.49) CA12CA1CA2CA9MAOA
SCHEMBL29935810 0.74 ERN1 (0.49) CA12CA1CA2CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874466-B N-substituted dioxocyclobutylamino-3-hydroxy-pyridinecarboxamides as CCR6 inhibitors PFIZER INC. (US) 2026-05-26 CN disclosed
CN-116874466-A N-substituted dioxocyclobutylamino-3-hydroxy-pyridinecarboxamides as CCR6 inhibitors 辉瑞公司 2023-10-13 CN disclosed
CN-112672791-B N-substituted dioxocyclobutylamino-3-hydroxy-pyridinecarboxamides as CCR6 inhibitors 辉瑞公司 2023-10-03 CN disclosed