SCHEMBL29959077

SCHEMBL29959077

CCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)nn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.56
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GAA P10253 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ EIF4A1 P60842 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HTT P42858 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
SCHEMBL23578894 1.00 DHODH (0.56) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590210 0.89 DHODH (0.58) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590331 0.89 DHODH (0.62) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590082 0.88 DHODH (0.69) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL25118724 0.86 DHODH (0.59) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29997396 0.85 DHODH (0.59) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23579626 0.85 DHODH (0.59) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590127 0.85 DHODH (0.55) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590320 0.85 DHODH (0.55) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23579617 0.85 DHODH (0.55) DHODHMEN1KMT2AKDM4ESMN1; SMN2

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-4081512-A1 COMPOSITIONS FOR USE FOR THE INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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