SCHEMBL29972802

SCHEMBL29972802

CCOc1ccc(-c2csc(-c3cc(C(=O)O)c4cc(F)ccc4n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ PLA2G2A P14555 1/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EIF4A1 P60842 2/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44

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
SCHEMBL23578845 1.00 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL26074850 0.92 PLA2G2A (0.61) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29972871 0.90 RXFP1 (0.53) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578798 0.90 RXFP1 (0.53) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29617652 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23576327 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578864 0.87 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29973103 0.87 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578598 0.84 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23590128 0.84 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-4081520-A1 COMPOSITIONS FOR USE IN THE INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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