SCHEMBL23590110

SCHEMBL23590110

O=C(O)c1cc(-c2ccc(-c3ccc(COI)cc3)cn2)nc2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.58
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ EIF4A1 P60842 4/20 0.50
▸ PLA2G2A P14555 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ EPRS1 P07814 1/20 0.42

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
SCHEMBL25118630 0.91 DHODH (0.57) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL23590075 0.90 DHODH (0.71) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL23590149 0.88 DHODH (0.44) DHODHALDH1A1MEN1KMT2AEIF4A1
SCHEMBL23590222 0.84 PLA2G2A (0.67) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL29959049 0.83 DHODH (0.59) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL23578600 0.83 DHODH (0.59) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL23590120 0.83 DHODH (0.79) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL23590287 0.82 DHODH (0.57) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL26074552 0.81 EIF4A1 (0.50) DHODHALDH1A1MEN1KMT2AEIF4A1
SCHEMBL23590113 0.81 DHODH (0.60) DHODHALDH1A1GAAMEN1KMT2A

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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