SCHEMBL9868280

SCHEMBL9868280

NC(=O)c1ccc(OCCCCCCn2ccnc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.83
NOS1 P29475 3/20 0.66
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
Hydrochloric Acid SCHEMBL9270077 0.99 TBXAS1 (0.81) TBXAS1NOS1LMNAKDM4EMEN1
SCHEMBL6302832 0.95 TBXAS1 (0.87) TBXAS1NOS1LMNAMEN1KMT2A
SCHEMBL3005716 0.91 TBXAS1 (1.00) TBXAS1LMNAKDM4EMEN1KMT2A
SCHEMBL22749387 0.88 TBXAS1 (0.90) TBXAS1NOS1LMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL9271328 0.86 TBXAS1 (0.69) TBXAS1NOS1LMNAKDM4EMEN1
SCHEMBL7685878 0.84 NOS1 (0.81) TBXAS1NOS1LMNAKDM4EMEN1
SCHEMBL9786288 0.83 TBXAS1 (0.74) TBXAS1NOS1LMNAKDM4E
SCHEMBL9786317 0.83 TBXAS1 (0.62) TBXAS1NOS1LMNAKDM4EMEN1
SCHEMBL29980572 0.83 TBXAS1 (0.91) TBXAS1NOS1LMNAKDM4EMEN1
SCHEMBL7502648 0.83 TBXAS1 (1.00) TBXAS1LMNAMEN1KMT2A

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-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO claimed