SCHEMBL7009381

SCHEMBL7009381

O=C(COc1ccc(S(=O)(=O)Cl)cc1)Nc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ RAB9A P51151 7/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ TP53 P04637 2/20 0.55
▸ PKM P14618 2/20 0.55
▸ GAA P10253 3/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ POLB P06746 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TSHR P16473 1/20 0.51

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
Hydrochloric Acid SCHEMBL7014888 0.83 GAA (0.69) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL7009383 0.81 NPC1 (0.64) KMT2ARAB9ANPC1KDM4ELMNA
SCHEMBL2562542 0.80 RAB9A (0.59) KMT2ARAB9ANPC1KDM4EMEN1
SCHEMBL9722694 0.79 HCAR2 (0.60) KMT2ARAB9ANPC1KDM4EMEN1
SCHEMBL11213142 0.75 TBXAS1 (0.63) RAB9ANPC1TP53PKMMITF
SCHEMBL969459 0.74 NPC1 (0.71) KMT2ARAB9ANPC1KDM4EMEN1
SCHEMBL9722714 0.74 RAB9A (0.64) KMT2ARAB9ANPC1KDM4EMEN1
SCHEMBL11213148 0.73 RAB9A (0.52) KMT2ARAB9ANPC1KDM4EMEN1
SCHEMBL6245092 0.73 GAA (1.00) KMT2ARAB9ANPC1MEN1TP53
SCHEMBL7227121 0.73 POLB (0.55) KMT2ARAB9ANPC1MEN1MAPT

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 4 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 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
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