SCHEMBL28334358

SCHEMBL28334358

CCC[n+]1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAD52 P43351 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
XBP1 P17861 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL28336431 0.88 HTT (0.46) KDM4EALDH1A1HTTLMNAHSP90AA1
SCHEMBL11356827 0.85 HTT (0.56) HTTLMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL10646216 0.85 HTT (0.56) HTTLMNAHSP90AA1SMN1; SMN2RAD52
Bromide SCHEMBL9654786 0.83 HSP90AA1 (0.56) ALDH1A1HTTLMNAHSP90AA1SMN1; SMN2
SCHEMBL5028519 0.83
Bromide SCHEMBL546848 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAOA
Hydrochloric Acid SCHEMBL10747676 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1238157 0.77 PABPC1 (0.46) KDM4EALDH1A1HTTLMNARAD52
SCHEMBL29453936 0.77 PABPC1 (0.46) KDM4EALDH1A1HTTLMNARAD52
SCHEMBL21456850 0.75 KDM4E (0.66) KDM4EALDH1A1HTTMAOAMAOB

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
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN claimed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN disclosed