SCHEMBL7850351

SCHEMBL7850351

CCSc1nccc(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.50
▸ NOS3 P29474 6/20 0.50
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NOS1 P29475 3/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL8835034 0.81 AOC3 (0.35) NOS2NOS3LMNAALDH1A1KDM4E
SCHEMBL4989950 0.78 NOS2 (0.56) NOS2NOS3LMNAKDM4ENOS1
SCHEMBL31214543 0.74 NOS2 (0.42) NOS2NOS3LMNAALDH1A1KDM4E
SCHEMBL18753742 0.74 NOS2 (0.34) NOS2NOS3LMNAALDH1A1KDM4E
SCHEMBL12048608 0.72 KDM4E (0.45) NOS2NOS3LMNAALDH1A1KDM4E
SCHEMBL2130737 0.72 GAA (0.39) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7841702 0.70 SMN1; SMN2 (0.48) LMNAALDH1A1SMN1; SMN2HASPINHPGD
SCHEMBL11489975 0.69 NOS2 (0.56) NOS2NOS3LMNAKDM4ENOS1
SCHEMBL30374657 0.68 — —
SCHEMBL1502884 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 — — EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 — — EP disclosed
US-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 — — US disclosed
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 — — US disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 — — US disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 — — EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 — — WO disclosed
WO-1996001828-A1 N-PYRIDINYL[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 — — WO disclosed
US-5461161-A Chemical intermediate is 3-amino-2-hal pyridine DOWELANCO (US) 1995-10-24 — — US disclosed
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