SCHEMBL29997289

SCHEMBL29997289

CCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2OC)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ DHODH Q02127 11/20 0.56
▸ PLA2G2A P14555 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL23590315 1.00 KDM4E (0.66) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL23590314 0.91 KDM4E (0.70) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL29997481 0.91 KDM4E (0.70) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL29997396 0.90 DHODH (0.59) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL23579626 0.90 DHODH (0.59) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL23590317 0.89 DHODH (0.61) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL29997138 0.88 DHODH (0.57) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL23579601 0.88 DHODH (0.57) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL28891189 0.87 KDM4E (0.62) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL26075158 0.87 MEN1 (0.47) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10

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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