SCHEMBL6609291

SCHEMBL6609291

CNC(CO)c1cccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FDPS P14324 1/20 0.36
▸ FDFT1 P37268 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15228998 0.81 RAB9A (0.45) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL18765685 0.78 GAA (0.46) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL31592678 0.78 GAA (0.46) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL17827972 0.76 HTT (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL20738703 0.76 HTT (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL13915474 0.76 HTT (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL5769776 0.74 NOS3 (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL3724967 0.74 NOS3 (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL18308989 0.74 NOS3 (0.42) HTTRECQLP2RX7CCR1CCR8
SCHEMBL15244893 0.74 SCN9A (0.41) HTTMEN1KMT2AMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 — — EP disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 — — WO disclosed
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