SCHEMBL30679638

SCHEMBL30679638

O=Cc1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.55
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ERAP1 Q9NZ08 2/20 0.41
▸ MPL P40238 3/20 0.40
▸ ERN1 O75460 2/20 0.40
▸ KMO O15229 2/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ AR P10275 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL26704175 0.87 KIF11 (0.73) KIF11TRIM24TRIM33CA12CA1
SCHEMBL30679640 0.85 KIF11 (0.75) KIF11MPLKMOARDRD1
SCHEMBL3831122 0.83 TRIM24 (0.46) KIF11TRIM24TRIM33CA12CA1
SCHEMBL16552545 0.83 HSD17B1 (0.54) KIF11TRIM24TRIM33CA12CA1
SCHEMBL30861658 0.83 TRIM24 (0.46) KIF11TRIM24TRIM33CA12CA1
SCHEMBL18002387 0.81 KIF11 (0.53) KIF11MPLKMOAR
SCHEMBL5735574 0.81 TRIM24 (0.54) KIF11TRIM24TRIM33CA12CA1
SCHEMBL10299815 0.81 KIF11 (0.58) KIF11MPLKMOARALDH1A1
SCHEMBL67628 0.81 KIF11 (0.58) KIF11MPLKMOARALDH1A1
SCHEMBL18002827 0.81 KIF11 (0.47) KIF11ALDH1A1

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-117430570-A Rhodamine acetic acid compound, and pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-01-23 — — CN disclosed
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