SCHEMBL4789205

SCHEMBL4789205

COc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N(C)C3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
CCR3 P51677 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL2586402 1.00 KMT2A (0.42) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL2581301 0.92 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EXBP1
SCHEMBL5139147 0.91 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EXBP1
SCHEMBL15049603 0.86 ALDH1A1 (0.39) KMT2AMEN1SIGMAR1ALDH1A1XBP1
SCHEMBL778489 0.86 ALDH1A1 (0.39) KMT2AMEN1SIGMAR1ALDH1A1XBP1
SCHEMBL775883 0.85 HTT (0.41) KMT2AMEN1SIGMAR1ALDH1A1XBP1
SCHEMBL4759981 0.85 HTT (0.41) KMT2AMEN1SIGMAR1ALDH1A1XBP1
SCHEMBL2584875 0.82 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL2578184 0.81 SPR (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL2578100 0.81 GPR119 (0.41) KMT2AMEN1ALDH1A1XBP1HTT

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-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