SCHEMBL28610024

SCHEMBL28610024

O=C(Oc1ccccc1)c1cc(-c2nc[nH]n2)cc(C(=O)Oc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MEN1 O00255 3/20 0.41
NSD2 O96028 1/20 0.41
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
NR4A2 P43354 1/20 0.38
ALOX5 P09917 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL28612196 0.86 NSD2 (0.50) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL28610732 0.80 FAAH (0.47) MAPTKMT2ATDP1MEN1NSD2
SCHEMBL69458 0.71 MAPT (0.75) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL29958775 0.71 ALDH1A1 (0.55) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL2655553 0.69 NPC1 (0.46) MAPTKDM4EPOLB
SCHEMBL24859014 0.69 MAPT (0.51) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL28992433 0.69 ALOX15 (0.38) MAPTALDH1A1TDP1KDM4E
SCHEMBL68414 0.68 TDP1 (0.66) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL17279707 0.68 NR1H2 (0.46) MAPTALDH1A1KMT2ATDP1NSD2
SCHEMBL17279686 0.68 NR1H2 (0.45) MAPTKMT2ATDP1MEN1NSD2

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-113292728-A Preparation method and application of polybenzimidazole polymer with high proton conductivity for fuel cell 中国科学院上海有机化学研究所 2021-08-24 CN disclosed