SCHEMBL8701280

SCHEMBL8701280

C=CCOC(=O)CCOc1ccc(S(=O)(=O)n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
CMA1 P23946 1/20 0.39
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MAT2A P31153 2/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BCL2 P10415 1/20 0.33
BID P55957 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL7460900 0.86 CMA1 (0.58) TDP1KMT2APSEN1PSEN2APH1B
SCHEMBL8707152 0.78 MAT2A (0.43) TDP1KMT2APSEN1PSEN2APH1B
SCHEMBL3783551 0.72 CMA1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7464976 0.71 CMA1 (0.53) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL7466245 0.70 CMA1 (0.60) TDP1KMT2ACMA1MAPTMCL1
SCHEMBL3786281 0.69 CMA1 (0.64) CMA1MAPTLMNAL3MBTL1KDM4E
SCHEMBL8706895 0.69 MEN1 (0.41) KMT2AMAPTCYP1A2CYP2C19MAT2A
SCHEMBL3786870 0.66 CMA1 (0.53) CMA1MAPTLMNAL3MBTL1KDM4E
SCHEMBL7465314 0.65 CMA1 (0.71) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8706870 0.64 MAT2A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed