SCHEMBL23590328

SCHEMBL23590328

O=C(O)c1cc(-c2ccc(-c3ccc(COI)cc3)cc2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PTGES O14684 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ DHODH Q02127 8/20 0.51
▸ EPRS1 P07814 2/20 0.49
▸ EIF4A1 P60842 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL23590236 0.90 DHODH (0.53) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590149 0.90 DHODH (0.44) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590131 0.89 DHODH (0.46) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL6181595 0.86 ALDH1A1 (0.59) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590075 0.85 DHODH (0.71) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590078 0.83 KDM4E (0.65) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL26074194 0.82 PLA2G2A (0.55) ALDH1A1DHODHKDM4E
SCHEMBL23590028 0.81 DHODH (0.62) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590225 0.81 KDM4E (0.67) HIF1AHSD17B10ALDH1A1PTGESALOX5
SCHEMBL23590240 0.81 DHODH (0.73) HIF1AHSD17B10ALDH1A1PTGESALOX5

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-2023278778-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD47-SIRPΑ THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-01-05 — — WO disclosed
WO-2021134045-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2021-07-01 — — WO disclosed
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