SCHEMBL28622989

SCHEMBL28622989

O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)cc(-c2c[nH]nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.49
ALOX5 P09917 2/20 0.44
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR4A2 P43354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
TMPRSS15 P98073 1/20 0.38
GALR1 P47211 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28623483 0.78 NSD2 (0.50) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL28350807 0.78 NOTUM (0.38) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2035745 0.78 NSD2 (0.74) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL28619404 0.76 NSD2 (0.48) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL12050683 0.74 KMO (0.53) ALDH1A1SMN1; SMN2
SCHEMBL10833837 0.73 MAPT (0.46) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL28612196 0.72 NSD2 (0.50) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL11579444 0.72 NSD2 (0.67) NSD2ALOX5MAPTTDP1ALDH1A1
Acetic Acid SCHEMBL27872989 0.72 GAA (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6851163 0.71 NSD2 (0.70) NSD2ALOX5MAPTTDP1ALDH1A1

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