SCHEMBL20414372

SCHEMBL20414372

CCCCCCc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TACR3 P29371 2/20 0.50
SLC2A1 P11166 1/20 0.50
TLR8 Q9NR97 7/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 1/20 0.49
TSHR P16473 1/20 0.47
MOK Q9UQ07 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
SCHEMBL9988793 0.98 DHODH (0.53) DHODHHPGDKDM4EUSP2ALDH1A1
SCHEMBL27917367 0.94 DHODH (0.58) DHODHHPGDTACR3SLC2A1TLR8
SCHEMBL20414364 0.85 ACHE (0.53) DHODHHPGDKDM4ESLC2A1TLR8
SCHEMBL8675109 0.83 ACHE (0.50) DHODHHPGDKDM4ETACR3SLC2A1
SCHEMBL8091105 0.83 ACHE (0.54) DHODHHPGDKDM4ESLC2A1TLR8
Phthalic Acid SCHEMBL28229283 0.82 DHODH (0.56) DHODHHPGDKDM4EUSP2ALDH1A1
SCHEMBL28118267 0.82 KDM4E (0.43) DHODHHPGDKDM4EUSP2ALDH1A1
SCHEMBL27367367 0.81 ACHE (0.51) DHODHHPGDKDM4ETACR3SLC2A1
Phthalic Acid SCHEMBL28034650 0.81 DHODH (0.55) DHODHHPGDKDM4EUSP2ALDH1A1
SCHEMBL13243228 0.80 ESRRB (0.59) DHODHHPGDKDM4EALDH1A1MAPT

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
WO-2018132905-A1 COMPOUNDS FOR TREATMENT OF GLIOBLASTOMA THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-26 WO disclosed