SCHEMBL28891192

SCHEMBL28891192

CCCCOc1ccccc1-c1cc(F)c(-c2cc(C(=O)O)c3cc(F)ccc3n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.53
▸ EIF4A1 P60842 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PDE10A Q9Y233 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 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
SCHEMBL28891174 0.92 DHODH (0.56) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL28891175 0.90 DHODH (0.55) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL28891171 0.90 DHODH (0.58) DHODHEIF4A1KDM4ELMNASMN1; SMN2
SCHEMBL28885855 0.87 DHODH (0.65) DHODHEIF4A1KDM4ELMNASMN1; SMN2
SCHEMBL28891179 0.85 DHODH (0.55) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL28891198 0.85 DHODH (0.57) DHODHEIF4A1KDM4ELMNASMN1; SMN2
SCHEMBL28891182 0.84 DHODH (0.53) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL23579651 0.84 DHODH (0.63) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL29997219 0.84 DHODH (0.63) DHODHEIF4A1KDM4ELMNATP53
SCHEMBL23590086 0.82 DHODH (0.59) DHODHKDM4ELMNATP53SMN1; 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
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
Send feedback