SCHEMBL7638541

SCHEMBL7638541

[CH2]COc1ccccc1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HTR7 P34969 3/20 0.35
HTR1B P28222 2/20 0.33
TSPO P30536 1/20 0.33
APP P05067 1/20 0.33
HTR6 P50406 1/20 0.32
NSD2 O96028 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL7410921 0.82 TDP1 (0.41) TDP1HTR7HTR1BLMNAL3MBTL1
SCHEMBL2863207 0.81 ALDH1A1 (0.52) TDP1MAPTALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL2863204 0.79 ALDH1A1 (0.50) TDP1MAPTALDH1A1GAALMNA
SCHEMBL11671939 0.79 HPGD (0.47) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL12772066 0.78 TDP1 (0.36) TDP1MAPTALDH1A1GAATP53
SCHEMBL15966175 0.78 CYP1A2 (0.44) TDP1MAPTHTR7HTR1BL3MBTL1
SCHEMBL9584860 0.77 KDM4E (0.46) TDP1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL12646498 0.76 HTR7 (0.46) TDP1MAPTALDH1A1GAATP53
SCHEMBL8740808 0.76 HTR7 (0.42) TDP1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL12774397 0.76 MAPT (0.58) TDP1MAPTGAAAPPMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed