SCHEMBL30880341

SCHEMBL30880341

CCCCCNC(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
ASAH1 Q13510 2/20 0.44
EPHX1 P07099 4/20 0.43
NAMPT P43490 2/20 0.42
QPCT Q16769 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2851679 0.98 NAAA (0.48) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL10057549 0.98 NAAA (0.48) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL7557165 0.98 NAAA (0.48) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL4256419 0.95 QPCT (0.43) NAAAASAH1EPHX1QPCTMAPK1
SCHEMBL22494115 0.90 EPHX2 (0.47)
SCHEMBL7553681 0.90 EPHX2 (0.47)
SCHEMBL5257422 0.88 QPCT (0.45) NAMPTQPCTMAPK1SMN1; SMN2
SCHEMBL15212788 0.87 TSHR (0.39) QPCTKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL13519379 0.84 L3MBTL1 (0.39) SMN1; SMN2
SCHEMBL4375579 0.84 KMT2A (0.38) QPCTKDM4EMAPK1HTTSMN1; SMN2

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-4626876-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-10-08 EP disclosed
WO-2024115509-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed