SCHEMBL7006314

SCHEMBL7006314

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccn4)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
THRB P10828 1/20 0.38
PKM P14618 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GRM4 Q14833 1/20 0.36
HPGD P15428 1/20 0.36
RAPGEF3 O95398 1/20 0.35

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
SCHEMBL7007593 0.95 KDM4E (0.41) KDM4ERXFP1KMT2AMEN1LMNA
SCHEMBL5370630 0.87 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL14495759 0.87 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5763595 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5332710 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5763585 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5332714 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL7008064 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5367365 0.86 CYP2C9 (0.42) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL7010700 0.85 CYP2C9 (0.38) KDM4EKMT2AMEN1LMNAMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US claimed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP claimed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO claimed
EP-0285671-B1 PYRIDINE DERIVATIVES ASAHI CHEMICAL IND (JP) 2003-09-03 EP disclosed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
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
US-5126448-A Anxiolytic agents, learning enhancement ASAHI KASEI KOGYO K.K. (JP) 1992-06-30 US disclosed