SCHEMBL28619404

SCHEMBL28619404

O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
ALOX5 P09917 2/20 0.43
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
PARP10 Q53GL7 1/20 0.38
NR4A2 P43354 1/20 0.38
GALR1 P47211 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
TMPRSS15 P98073 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
SCHEMBL733150 0.78 GABRG2 (0.44) ALDH1A1SMN1; SMN2NR4A2
SCHEMBL2513559 0.77 ALOX15 (0.36) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2035745 0.76 NSD2 (0.74) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL9316474 0.76 HSD17B10 (0.38) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28622989 0.76 NSD2 (0.49) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL733156 0.75 DHODH (0.49) ALDH1A1SMN1; SMN2
SCHEMBL1502066 0.74 HPGD (0.43) NSD2ALOX5MAPTTDP1ALDH1A1
SCHEMBL730918 0.74 LMNA (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2NR4A2
SCHEMBL2512905 0.73 KDM4E (0.48) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL939586 0.72 CD74 (0.53) ALDH1A1SMN1; 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-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