SCHEMBL4894942

SCHEMBL4894942

COc1ccc2c(n1)nc(S(=O)(=O)NCc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
DDAH1 O94760 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
ENGASE Q8NFI3 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
CYP2C9 P11712 1/20 0.31
MAPT P10636 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4894945 0.85 HPGD (0.34) DDAH1SARM1IDO2ENGASEALDH1A1
SCHEMBL3771220 0.85 DDAH1 (0.33) DDAH1SARM1IDO2ENGASEALDH1A1
SCHEMBL3771197 0.77 CYP2C9 (0.34) DDAH1SARM1IDO2ENGASEALDH1A1
SCHEMBL13008031 0.76 PSEN1 (0.32) ALDH1A1GAAPSEN1PSEN2APH1B
SCHEMBL4796458 0.76 CYP2C9 (0.36) TSHRDDAH1SARM1IDO2ENGASE
SCHEMBL7854118 0.76 CYP2C9 (0.43) TSHRDDAH1ENGASEALDH1A1SMN1; SMN2
SCHEMBL5760319 0.74 CYP2C9 (0.38) TSHRDDAH1ENGASEALDH1A1SMN1; SMN2
SCHEMBL7841398 0.73 CYP2C9 (0.41) TSHRDDAH1ENGASEALDH1A1SMN1; SMN2
SCHEMBL6477928 0.73 CYP2C9 (0.39) TSHRDDAH1ENGASEALDH1A1SMN1; SMN2
SCHEMBL7854524 0.71 CYP2C9 (0.37) DDAH1ENGASEALDH1A1SMN1; SMN2LMNA

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
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed