SCHEMBL29958851

SCHEMBL29958851

CCOc1ccc(-c2cnc(-c3cc(C(=O)O)c4cc(F)ccc4n3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.56
▸ PLA2G2A P14555 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ CHRNA7 P36544 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ EIF4A1 P60842 1/20 0.50

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
SCHEMBL23579019 1.00 DHODH (0.62) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23576327 0.91 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29617652 0.91 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29959049 0.89 DHODH (0.59) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578600 0.89 DHODH (0.59) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL25118724 0.89 DHODH (0.59) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29958903 0.88 DHODH (0.67) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578618 0.88 DHODH (0.67) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23590272 0.87 DHODH (0.62) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23590319 0.86 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081512-A1 COMPOSITIONS FOR USE FOR THE INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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