SCHEMBL9369331

SCHEMBL9369331

O=C(c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)nc1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
RECQL P46063 1/20 0.55
ADAM17 P78536 1/20 0.55
KMT2A Q03164 1/20 0.55
ADORA2A P29274 2/20 0.49
S1PR3 Q99500 10/20 0.49
GAA P10253 1/20 0.49
S1PR1 P21453 7/20 0.48
HSD11B1 P28845 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
HPGD P15428 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
SCHEMBL9537598 0.81 LMNA (0.51) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL8361113 0.81 LMNA (0.77) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL9538139 0.79 LMNA (0.49) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL9537139 0.78 LMNA (0.48) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL9537873 0.78 S1PR1 (0.43) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL1354666 0.76 ADORA2A (0.61) LMNAMEN1KMT2AADORA2AGAA
SCHEMBL31098649 0.76 S1PR3 (0.55) KDM4ES1PR3GAAS1PR1
SCHEMBL29289785 0.76 S1PR3 (0.55) KDM4ES1PR3GAAS1PR1
SCHEMBL9538546 0.76 LMNA (0.46) LMNAKDM4EMEN1ALOX15ALOX12
SCHEMBL8361111 0.75 LMNA (0.68) LMNAKDM4EMEN1ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278453-B1 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AG (DE) 1994-12-28 EP claimed
EP-0198202-B1 NOVEL N-CYCLOHEXYL-POLYCARBOXAMIDE COMPOUND AND DERIVATIVES THEREOF, PROCESSES FOR PREPARING THEM, AND USE OF THEM IN PREPARATION OF HOST-GUEST COMPLEXES MITSUBISHI CORPORATION (JP) 1991-07-17 EP claimed
US-4785111-A SEPARATION OF COMPOUNDS BY FORMATION OF INCLUSION COMPOUNDS MITSUBISHI CORPORATION (JP) 1988-11-15 US claimed
EP-0198202-A2 Novel N-cyclohexyl-polycarboxamide compound and derivatives thereof, processes for preparing them, and use of them in preparation of host-guest complexes MITSUBISHI CORPORATION (JP) 1986-10-22 EP claimed
EP-0198202-B1 NOVEL N-CYCLOHEXYL-POLYCARBOXAMIDE COMPOUND AND DERIVATIVES THEREOF, PROCESSES FOR PREPARING THEM, AND USE OF THEM IN PREPARATION OF HOST-GUEST COMPLEXES MITSUBISHI CORPORATION (JP) 1991-07-17 EP disclosed
US-4785111-A SEPARATION OF COMPOUNDS BY FORMATION OF INCLUSION COMPOUNDS MITSUBISHI CORPORATION (JP) 1988-11-15 US disclosed
EP-0198202-A2 Novel N-cyclohexyl-polycarboxamide compound and derivatives thereof, processes for preparing them, and use of them in preparation of host-guest complexes MITSUBISHI CORPORATION (JP) 1986-10-22 EP disclosed