SCHEMBL11089709

SCHEMBL11089709

CCCN(CC(OC)OC)C(=S)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
REV1 Q9UBZ9 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
DRD2 P14416 1/20 0.43
CYP3A4 P08684 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
SCHEMBL11093198 0.94 LMNA (0.47) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10499478 0.91 LMNA (0.51) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10498571 0.84 LMNA (0.53) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10498859 0.83 LMNA (0.51) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10498662 0.82 ALDH1A1 (0.50) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10498609 0.81 LMNA (0.51) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3048258 0.76 KMT2A (0.56) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10465161 0.75 ALDH1A1 (0.58) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10498566 0.73 KMT2A (0.53) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9382061 0.71 KMT2A (0.66) LMNASMN1; SMN2NPC1RAB9AMEN1

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-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 EP disclosed