SCHEMBL8522126

SCHEMBL8522126

CCCC(C(=O)O)c1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.54
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
QPCT Q16769 2/20 0.42

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
SCHEMBL9271416 0.85 QPCT (0.44) POLBLMNASMN1; SMN2NPC1MEN1
SCHEMBL8949312 0.81 LMNA (0.48) POLBLMNASMN1; SMN2NPC1MEN1
SCHEMBL7879569 0.78 QPCT (0.49) POLBLMNASMN1; SMN2NPC1MEN1
SCHEMBL13696720 0.78 CYP11B1 (0.55) SMN1; SMN2QPCT
SCHEMBL7868665 0.78 SMN1; SMN2 (0.41) TBXAS1POLBLMNASMN1; SMN2NPC1
SCHEMBL8949449 0.77 ALDH1A1 (0.56) POLBLMNASMN1; SMN2NPC1MEN1
SCHEMBL8445979 0.76 ALDH1A1 (0.64) TBXAS1POLBSMN1; SMN2NPC1MEN1
SCHEMBL8444382 0.76 GSK3A (0.48) POLBLMNASMN1; SMN2NPC1MEN1
SCHEMBL8949297 0.76 SMN1; SMN2 (0.52) POLBLMNASMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL8949432 0.76 ALDH1A1 (0.55) POLBLMNASMN1; SMN2NPC1MEN1

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
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed