SCHEMBL5790334

SCHEMBL5790334

C=CCNC(CC)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.36
CYP26A1 O43174 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
AOC3 Q16853 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 1/20 0.33
ACP3 P15309 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 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
SCHEMBL3234142 0.82 SMN1; SMN2 (0.49) HPGDLMNASMN1; SMN2MAPTKDM4E
SCHEMBL23153279 0.82 ACHE (0.39) CYP26A1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL2322263 0.80 SMN1; SMN2 (0.47) HPGDLMNASMN1; SMN2MAPTKDM4E
SCHEMBL11766018 0.79 TP53 (0.38) HPGDTP53TDP1LMNAAOC3
SCHEMBL13075267 0.76 ACHE (0.41) TDP1CYP26A1PSEN1PSEN2APH1B
SCHEMBL29339790 0.75 AOC3 (0.41) TP53TDP1LMNACYP26A1PSEN1
SCHEMBL13075234 0.75 ACHE (0.39) CYP26A1PSEN1PSEN2APH1BNCSTN
SCHEMBL14415658 0.74 LMNA (0.50) TP53TDP1LMNASMN1; SMN2MAPT
SCHEMBL16955028 0.71 TDP1 (0.42) TP53TDP1PSEN1PSEN2APH1B
SCHEMBL4580573 0.71 CYP26A1 (0.50) HPGDLMNACYP26A1SMN1; SMN2ACP3

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-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO disclosed