SCHEMBL7857124

SCHEMBL7857124

COc1ccc2nc(S(=O)(=O)NCc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccn4)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.37
RAPGEF3 O95398 1/20 0.37
MGAT2 Q10469 1/20 0.37

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
SCHEMBL7841398 0.86 CYP2C9 (0.41) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL7006314 0.85 KDM4E (0.41) KDM4ERXFP1KMT2ALMNAMEN1
SCHEMBL7831809 0.83 KDM4E (0.39) KDM4ERXFP1KMT2ALMNAMEN1
SCHEMBL7856584 0.82 CYP2C9 (0.44) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL7854524 0.80 CYP2C9 (0.37) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL7007593 0.80 KDM4E (0.41) KDM4ERXFP1KMT2ALMNAMEN1
SCHEMBL7841625 0.78 CYP2C9 (0.40) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL7854118 0.78 CYP2C9 (0.43) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL6478121 0.75 CYP2C9 (0.51) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL4796458 0.75 CYP2C9 (0.36) KDM4EKMT2ALMNAMEN1MAPT

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-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP disclosed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO disclosed