SCHEMBL8500412

SCHEMBL8500412

Cc1c(OCCO)ccnc1C[S+]([O-])c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 2/20 0.38
ATP1A1 P05023 5/20 0.37
ATP1B1 P05026 5/20 0.37
ATP1A3 P13637 5/20 0.37
ATP1B2 P14415 5/20 0.37
ATP4A P20648 5/20 0.37
ATP1A2 P50993 5/20 0.37
ATP4B P51164 5/20 0.37
ATP1B3 P54709 5/20 0.37
FXYD2 P54710 5/20 0.37
ATP1A4 Q13733 5/20 0.37
WDR5 P61964 4/20 0.37
KMT2A Q03164 4/20 0.37
ENGASE Q8NFI3 3/20 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
SCHEMBL8548632 0.90 KMT2A (0.38) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8503958 0.90 KMT2A (0.44) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8548629 0.90 KMT2A (0.38) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6872754 0.90 CYP2C9 (0.48) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL10335436 0.90 CYP2C9 (0.39) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5662759 0.89 ATP4A (0.42) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8550415 0.89 CYP2C9 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8502925 0.89 KMT2A (0.37) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL9026751 0.89 CYP2C9 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8133803 0.86 ATP4A (0.41) CYP2C9NPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 US disclosed
EP-0654471-B1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same EISAI CO LTD (JP) 1998-07-08 EP disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 EP disclosed