SCHEMBL28261900

SCHEMBL28261900

Nc1cccc(OC(=O)c2ccccc2C(=O)Oc2ccccc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP3A4 P08684 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
ADRA1A P35348 1/20 0.49
KDR P35968 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 2/20 0.46
F2 P00734 1/20 0.46
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 5/20 0.43

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
SCHEMBL28261883 0.89 MAPT (0.58) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL17744895 0.88 SMN1; SMN2 (0.54) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL28055427 0.87 SMN1; SMN2 (0.51) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL28261885 0.83 MAPT (0.60) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL28260593 0.83 HSD17B10 (0.51) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL28150196 0.83 MAPT (0.56) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL9861954 0.79 ALDH1A1 (0.56) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL6430893 0.79 ALDH1A1 (0.60) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL7991044 0.79 MAPT (0.55) MAPTCYP3A4SMN1; SMN2LMNATP53
SCHEMBL13292735 0.78 SMN1; SMN2 (0.57) MAPTSMN1; SMN2LMNASLC6A3HDAC6

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-105392838-B Composition epoxy resin, prepreg and carbon fibre reinforced composite 东丽株式会社 2018-12-14 CN disclosed