SCHEMBL8501937

SCHEMBL8501937

Cc1c(OCCOCCO)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 4/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
AR P10275 4/20 0.49
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46

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
SCHEMBL31515434 0.95 CYP2C9 (0.74) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL599742 0.94 CYP2C9 (0.72) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL8501939 0.91 RAB9A (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL600640 0.91 CYP2C9 (0.71) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL8500352 0.90 CYP2C9 (0.67) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL9025242 0.90 CYP2C9 (0.70) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733368 0.89 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734261 0.89 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734210 0.89 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733381 0.89 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6

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
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0475456-B1 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) 1998-02-04 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