SCHEMBL2227397

SCHEMBL2227397

O=C(NCCN1CCCCC1)c1cccc2c(Cl)c3c(nc12)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
GAA P10253 1/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLR1A O95602 5/20 0.47
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
USP7 Q93009 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC40A1 Q9NP59 1/20 0.44
METAP2 P50579 1/20 0.44
PARP1 P09874 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL2229239 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2227633 0.78 MAPT (0.89) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2229536 0.78 MAPT (0.89) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL13822374 0.78 MAPT (0.89) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2226783 0.77 DRD4 (0.50) USP7
SCHEMBL2227659 0.75 ACHE (0.49) ALDH1A1MAPTGAAGFERSMN1; SMN2
SCHEMBL2219175 0.71 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL28598516 0.70 NPSR1 (0.56) MEN1KMT2APOLR1AKCNH2NPSR1
SCHEMBL13164063 0.69 NPSR1 (0.58) MEN1KMT2APOLR1ANPSR1
SCHEMBL15321974 0.69 TP53 (0.64) MEN1KMT2AALDH1A1MAPTGAA

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-2523938-A1 AMIDOACRIDINE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Hybrigenics S.A. (FR) 2012-11-21 EP disclosed
WO-2011086178-A1 AMIDOACRIDINE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 HYBRIGENICS SA (FR) 2011-07-21 WO disclosed