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Sugi Predict / Compounds / SCHEMBL19631622

SCHEMBL19631622

SCHEMBL19631622

CCCCCOC(=O)c1ccccc1/C=N/N(c1nc(-c2ccccc2Cl)cs1)C1CCCC(OC(=O)c2ccccc2/C=N/N(c2nc(-c3ccccc3Cl)cs2)C(C)OC(=O)OCOC(=O)c2ccccc2/C=N/Nc2nc(-c3ccccc3Cl)cs2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 19/20 0.56
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL19631478 0.92 DHODH (0.66) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL19634183 0.83 DHODH (0.67) DHODH
SCHEMBL19634074 0.81 DHODH (0.61) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL19631421 0.76 DHODH (0.95) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL30131172 0.76 DHODH (0.95) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL19631385 0.76 DHODH (0.93) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL30131121 0.76 DHODH (0.93) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL19631459 0.75 DHODH (0.84) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL21394319 0.74 DHODH (0.81) DHODHKDM4EALDH1A1POLBMAPT
SCHEMBL19631467 0.74 DHODH (1.00) DHODHKDM4EALDH1A1POLBMAPT

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
WO-2017198179-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES 华东理工大学 2017-11-23 — — WO disclosed
WO-2017198178-A1 THIAZOLE DERIVATIVE AND APPLICATIONS 华东理工大学 2017-11-23 — — WO disclosed
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