SCHEMBL29997396

SCHEMBL29997396

CCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.59
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PTGS2 P35354 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ PLA2G2A P14555 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EIF4A1 P60842 1/20 0.46

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
SCHEMBL23579626 1.00 DHODH (0.59) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23579972 0.93 DHODH (0.57) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29996606 0.93 DHODH (0.57) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29997369 0.92 DHODH (0.67) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590270 0.92 DHODH (0.67) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23590317 0.92 DHODH (0.61) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29997138 0.91 DHODH (0.57) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23579601 0.91 DHODH (0.57) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23579617 0.90 DHODH (0.55) DHODHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29998015 0.90 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 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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