SCHEMBL13845558

SCHEMBL13845558

Nc1nc(Cl)cc(OCc2ccc(CNC(=O)CCCC(=O)NCc3ccc(COc4cc(Cl)nc(N)n4)cc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.48
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.43
PRSS1 P07477 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL18573951 0.88 SMN1; SMN2 (0.47) TPSAB1ALDH1A1PRSS1SMN1; SMN2NUDT1
SCHEMBL15483861 0.86 ALDH1A1 (0.49) LMNAALDH1A1HPGDGAASMN1; SMN2
SCHEMBL18573848 0.85 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NUDT1HDAC1HDAC6
SCHEMBL15483592 0.83 ALDH1A1 (0.44) LMNAALDH1A1HPGDGAASMN1; SMN2
SCHEMBL15483629 0.83 ALDH1A1 (0.44) LMNAALDH1A1HPGDGAASMN1; SMN2
SCHEMBL23481321 0.82 CA1 (0.45) ALDH1A1GAASMN1; SMN2NUDT1HDAC1
SCHEMBL20434695 0.82 ERCC1 (0.44) TPSAB1ALDH1A1PRSS1SMN1; SMN2NUDT1
SCHEMBL2748645 0.82 PIN1 (0.57) ALDH1A1SMN1; SMN2NUDT1HDAC1HDAC6
SCHEMBL23764904 0.80 NUDT1 (0.52) ALDH1A1SMN1; SMN2NUDT1RAB9AMEN1
SCHEMBL15483836 0.79 ALDH1A1 (0.41) LMNAALDH1A1HPGDGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060065-A1 METHOD OF QUANTIFYING TRANSIENT INTERACTIONS BETWEEN PROTEINS COVALYS BIOSCIENCES AG (CH) 2009-05-14 WO disclosed