SCHEMBL29997369

SCHEMBL29997369

CCCCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.67
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PTPN11 Q06124 2/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ EIF4A1 P60842 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PLA2G2A P14555 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ MCL1 Q07820 1/20 0.47

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
SCHEMBL23590270 1.00 DHODH (0.67) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23580018 0.94 DHODH (0.62) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL29997228 0.94 DHODH (0.62) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL29996591 0.92 DHODH (0.66) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23579598 0.92 DHODH (0.66) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23579626 0.92 DHODH (0.59) DHODHMEN1KMT2AEIF4A1KDM4E
SCHEMBL29997396 0.92 DHODH (0.59) DHODHMEN1KMT2AEIF4A1KDM4E
SCHEMBL23590093 0.92 DHODH (0.58) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23579651 0.91 DHODH (0.63) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL29997219 0.91 DHODH (0.63) DHODHMEN1KMT2APTPN11PDE10A

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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