SCHEMBL3434652

SCHEMBL3434652

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)cc2)NC(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
TP53 P04637 5/20 0.59
PDE1C Q14123 2/20 0.57
NPSR1 Q6W5P4 2/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CREBBP Q92793 1/20 0.56
GAA P10253 4/20 0.56
MAPT P10636 3/20 0.54
ADORA2B P29275 4/20 0.52
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3398354 0.91 MEN1 (0.64) MEN1KMT2ATP53PDE1CGAA
SCHEMBL3393538 0.90 MEN1 (0.78) MEN1KMT2ATP53PDE1CGAA
SCHEMBL3393219 0.90 MEN1 (0.62) MEN1KMT2ATP53PDE1CGAA
SCHEMBL3394396 0.90 MEN1 (0.58) MEN1KMT2ATP53PDE1CNPSR1
SCHEMBL3399280 0.89 MEN1 (0.61) MEN1KMT2ATP53PDE1CGAA
Hydrochloric Acid SCHEMBL3394808 0.89 MEN1 (0.61) MEN1KMT2ATP53PDE1CGAA
SCHEMBL13426120 0.89 PDE1C (0.59) MEN1KMT2ATP53PDE1CNPSR1
SCHEMBL3395613 0.89 MEN1 (0.60) MEN1KMT2ATP53PDE1CGAA
SCHEMBL13425692 0.89 MEN1 (0.60) MEN1KMT2ATP53PDE1CNPSR1
SCHEMBL3394404 0.89 HSD17B10 (0.62) MEN1KMT2ATP53PDE1CSMN1; 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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed