SCHEMBL29997219

SCHEMBL29997219

CCCCOc1cccc(-c2cc(F)c(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.63
▸ EIF4A1 P60842 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PTPN11 Q06124 2/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ PLA2G2A P14555 2/20 0.46

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
SCHEMBL23579651 1.00 DHODH (0.63) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL23580018 0.92 DHODH (0.62) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL29997228 0.92 DHODH (0.62) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL29998015 0.92 DHODH (0.55) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL23579617 0.92 DHODH (0.55) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL23590270 0.91 DHODH (0.67) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL29997369 0.91 DHODH (0.67) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL23576326 0.88 DHODH (0.70) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL29918673 0.88 DHODH (0.70) DHODHEIF4A1KDM4ELMNAALDH1A1
SCHEMBL23590276 0.87 DHODH (0.61) DHODHEIF4A1KDM4ELMNAALDH1A1

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-115361948-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 俄亥俄州国家创新基金会 2022-11-18 — — CN disclosed
EP-4081215-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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