SCHEMBL8501995

SCHEMBL8501995

COCCCOC1(C)C=CN=C(CSc2nc3ccccc3[nH]2)C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.43
▸ NPC1 O15118 9/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ LMNA P02545 5/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HTT P42858 4/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL8501993 0.73 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL8503495 0.69 NOS2 (0.78) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL29538889 0.68 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL1306777 0.68 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL5738051 0.67 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL5738053 0.67 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL8503548 0.67 NOS2 (0.78) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL8502308 0.66 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL12980846 0.66 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL8500232 0.65 NOS3 (0.56) RAB9ANPC1SMN1; SMN2KMT2ANFKB1

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 5 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-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
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