SCHEMBL29997495

SCHEMBL29997495

CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ PLA2G2A P14555 1/20 0.50
▸ EIF4A1 P60842 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 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
SCHEMBL23590269 1.00 DHODH (0.56) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL23590336 0.90 DHODH (0.57) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL23590253 0.89 DHODH (0.70) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL23590262 0.89 ALOX5AP (0.48) DHODHKMT2AMEN1ALDH1A1EIF4A1
SCHEMBL23590281 0.89 DHODH (0.59) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL23590338 0.85 DHODH (0.58) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL26075138 0.85 DHODH (0.41) DHODHKMT2AMEN1ALDH1A1PLA2G2A
SCHEMBL23590267 0.85 DHODH (0.77) DHODHKMT2AMEN1ALDH1A1GAA
SCHEMBL26075323 0.84 ESR1 (0.38) DHODHKMT2AMEN1ALDH1A1PLA2G2A
SCHEMBL23590091 0.84 DHODH (0.60) DHODHKMT2AMEN1ALDH1A1GAA

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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