SCHEMBL4759981

SCHEMBL4759981

CN(C(=O)c1csc(C2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)n1)C1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SPR P35270 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL775883 1.00 HTT (0.41) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2584875 0.91 ALDH1A1 (0.38) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL778489 0.86 ALDH1A1 (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL15049603 0.86 ALDH1A1 (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL4789205 0.85 KMT2A (0.42) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2586402 0.85 KMT2A (0.42) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL776968 0.84 ALDH1A1 (0.41) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL2581301 0.83 KMT2A (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL5139147 0.83 ALDH1A1 (0.41) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2578184 0.81 SPR (0.40) HTTALDH1A1XBP1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed