SCHEMBL31484258

SCHEMBL31484258

Cc1ccc(CC(N)=O)c(C)c1C=NN

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ ICMT O60725 6/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL7120045 0.77 HTT (0.38) HTTICMTUSP2ALOX15CASP1
SCHEMBL31484256 0.70 MAPT (0.39) ICMTHSD17B10SMN1; SMN2
SCHEMBL9688908 0.69 L3MBTL1 (0.35) HTTICMTALDH1A1
SCHEMBL339508 0.68 P2RX7 (0.44) ICMTHSD17B10ALDH1A1
SCHEMBL28176483 0.68 HTT (0.37) HTTICMTHSD17B10CA2ALDH1A1
SCHEMBL17979828 0.67 CASP1 (0.45) HTTICMTCASP1SMN1; SMN2ALDH1A1
SCHEMBL23370334 0.67 KDM4E (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL14167164 0.67 P2RX7 (0.43) ICMTHSD17B10ALDH1A1
SCHEMBL2702114 0.65 ICMT (0.45) HTTICMTCA2
SCHEMBL30570712 0.65 TAAR1 (0.52) HTTICMTCA2ALDH1A1

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
WO-2025068461-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 — — WO claimed
WO-2025068461-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 — — WO disclosed
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