SCHEMBL29972871

SCHEMBL29972871

CCOc1cccc(-c2csc(-c3cc(C(=O)O)c4cc(F)ccc4n3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.53
▸ DHODH Q02127 8/20 0.53
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ EIF4A1 P60842 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ PLA2G2A P14555 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43

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
SCHEMBL23578798 1.00 RXFP1 (0.53) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL26074866 0.92 PLA2G2A (0.53) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL29972802 0.90 DHODH (0.55) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23578845 0.90 DHODH (0.55) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23590127 0.88 DHODH (0.55) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23590082 0.86 DHODH (0.69) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL25118724 0.85 DHODH (0.59) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23590320 0.84 DHODH (0.55) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23590210 0.84 DHODH (0.58) RXFP1DHODHMEN1KMT2AALDH1A1
SCHEMBL23579972 0.83 DHODH (0.57) DHODHMEN1KMT2AALDH1A1GAA

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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