SCHEMBL8319288

SCHEMBL8319288

COc1c(C)c2c3c(cccc3c1NC(C)=O)C(=O)OC2=O.O=C1Cc2ccccc2C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 8/20 0.40
CASP3 P42574 3/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
MAP3K14 Q99558 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TYMS P04818 2/20 0.32
ADRA2A P08913 1/20 0.31

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
SCHEMBL7709792 0.86 KDM4E (0.49) CASP7KDM4ECYP1A2CYP2C9IDO1
SCHEMBL7709640 0.72 TYMS (0.40) CASP7KDM4ECYP1A2CYP2C9ALDH1A1
SCHEMBL8318542 0.67 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8321557 0.67 TYMS (0.62) TDP2CASP3CASP7CASP9CASP6
Acetic Acid SCHEMBL9394441 0.66 TDP2 (0.79) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8323425 0.66 TDP2 (0.44) TDP2CASP3CASP7CASP9CASP6
SCHEMBL422023 0.64 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL29580380 0.64 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8323171 0.63 TDP2 (0.55) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8563055 0.63 TDP2 (0.77) TDP2CASP3CASP7CASP9CASP6

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
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed