SCHEMBL29997228

SCHEMBL29997228

CCCCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)c(F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.62
▸ EIF4A1 P60842 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PDE10A Q9Y233 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PLA2G2A P14555 3/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ RARA P10276 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 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
SCHEMBL23580018 1.00 DHODH (0.62) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL23590270 0.94 DHODH (0.67) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL29997369 0.94 DHODH (0.67) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL29997741 0.92 DHODH (0.61) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL23590276 0.92 DHODH (0.61) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL23579651 0.92 DHODH (0.63) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL29997219 0.92 DHODH (0.63) DHODHEIF4A1MEN1KMT2APDE10A
SCHEMBL23579972 0.92 DHODH (0.57) DHODHEIF4A1MEN1KMT2AKDM4E
SCHEMBL29996606 0.92 DHODH (0.57) DHODHEIF4A1MEN1KMT2AKDM4E
SCHEMBL23590246 0.91 DHODH (0.60) DHODHEIF4A1MEN1KMT2APDE10A

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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