SCHEMBL2226413

SCHEMBL2226413

CN1CCC(N2CCN(C(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CC2)CC1.O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.83
ALDH1A1 P00352 1/20 0.69
HTT P42858 1/20 0.69
KMT2A Q03164 2/20 0.65
SMYD3 Q9H7B4 5/20 0.65
MEN1 O00255 1/20 0.62
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 1/20 0.61
TP53 P04637 2/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL2227171 0.97 LMNA (0.81) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL2221189 0.91 LMNA (1.00) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL2228000 0.87 LMNA (0.80) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL2216711 0.87 LMNA (0.80) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL15988178 0.85 LMNA (0.76) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL2228549 0.84 KMT2A (0.73) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL14635581 0.81 LMNA (0.59) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL18706162 0.81 MAPT (0.79) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL2227761 0.79 KMT2A (0.66) LMNAALDH1A1HTTKMT2ASMYD3
SCHEMBL14635011 0.79 LMNA (0.69) LMNAALDH1A1HTTKMT2ASMYD3

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-2011086178-A1 AMIDOACRIDINE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 HYBRIGENICS SA (FR) 2011-07-21 WO claimed
WO-2011086178-A1 AMIDOACRIDINE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 HYBRIGENICS SA (FR) 2011-07-21 WO disclosed