SCHEMBL26434280

SCHEMBL26434280

O=C(Nc1ccc(OCCCCCCCCn2cncn2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL26440959 0.87 MAPT (0.57) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL26434287 0.81 TBXAS1 (0.69) LMNASMN1; SMN2TBXAS1
SCHEMBL7333590 0.78 MAPT (0.67) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL26434284 0.78 MAPT (0.57) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL19939702 0.78 MAPT (0.51) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL19939686 0.78 MAPT (0.51) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL19939685 0.78 MAPT (0.51) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL19937940 0.78 MAPT (0.51) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL12128447 0.77 HRH4 (0.72) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL26132002 0.77 ALDH1A1 (0.50) LMNAMAPTKMT2AMEN1KDM4E

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-2023069613-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS OHIO STATE INNOVATION FOUNDATION (US) 2023-04-27 WO disclosed