SCHEMBL28907444

SCHEMBL28907444

CNC(=O)c1cc(C)cc(Br)c1N(C(C)=O)C(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.39
▸ MALT1 Q9UDY8 4/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ GRM4 Q14833 1/20 0.30

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
SCHEMBL28523981 0.94 DHODH (0.39) DHODHMALT1EPHX2PHGDHRAB9A
SCHEMBL28524365 0.83 CHIA (0.38) DHODH
SCHEMBL28459476 0.82 DHODH (0.38) DHODHMALT1EPHX2
SCHEMBL28528321 0.81 DHODH (0.35) DHODH
SCHEMBL28517124 0.81 MEN1 (0.41) DHODHGAARAB9A
SCHEMBL28455051 0.80 DHODH (0.42) DHODHMALT1EPHX2
SCHEMBL12528597 0.80 DHODH (0.38) DHODHMALT1PHGDHGAA
SCHEMBL24397959 0.79 DHODH (0.39) DHODHMALT1EPHX2
SCHEMBL28530956 0.79 DHODH (0.34) DHODH
SCHEMBL28525370 0.79 DHODH (0.37) DHODHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066270-B Polyamide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-02-26 — — CN claimed
CN-110066270-B Polyamide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-02-26 — — CN disclosed
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