SCHEMBL28612196

SCHEMBL28612196

O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)cc(-c2nc[nH]n2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX5 P09917 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NR4A2 P43354 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
TMPRSS15 P98073 1/20 0.39
GALR1 P47211 1/20 0.39

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
SCHEMBL28610024 0.86 MAPT (0.45) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL2035745 0.79 NSD2 (0.74) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL28992433 0.77 ALOX15 (0.38) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL28623483 0.77 NSD2 (0.50) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL28992437 0.76 ALOX15 (0.36) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL11579444 0.73 NSD2 (0.67) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL29958775 0.73 ALDH1A1 (0.55) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL28622989 0.72 NSD2 (0.49) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL6851163 0.72 NSD2 (0.70) NSD2MAPTALDH1A1ALOX5TDP1
SCHEMBL4231277 0.72 KMO (0.53) ALDH1A1TDP1MAPK1LMNA

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