SCHEMBL28564302

SCHEMBL28564302

C=C1C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PARP10 Q53GL7 1/20 0.43
NSD2 O96028 1/20 0.43
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
TMPRSS15 P98073 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TGM2 P21980 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BACE1 P56817 2/20 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
Anisole SCHEMBL28074863 0.85 TDP1 (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15784421 0.80 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHPGDALOX5
SCHEMBL2244159 0.79 MAOA (0.55) MAOAMAOBMAPTALDH1A1MEN1
SCHEMBL28563303 0.73 MAPT (0.45) MAOAMAOBMAPTALDH1A1MEN1
SCHEMBL30399202 0.71 MAPT (0.51) MAPTALDH1A1MEN1KMT2APARP10
SCHEMBL3290858 0.71 MAPT (0.51) MAPTALDH1A1MEN1KMT2APARP10
SCHEMBL69953 0.70 MAPT (0.62) MAPTALDH1A1MEN1KMT2APARP10
SCHEMBL19755129 0.70 KMT2A (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL70034 0.70 PARP10 (0.70) MAPTALDH1A1MEN1KMT2APARP10
SCHEMBL19755113 0.70 MAOA (0.47) MAOAMAOBALDH1A1MEN1KMT2A

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-112867707-A Specifically formulated compositions of nintedanib and nintedanib salts for inhalation 艾弗林制药有限公司 2021-05-28 CN disclosed