SCHEMBL26440959

SCHEMBL26440959

N=C(Nc1ccc(OCCCCCCCCn2cncn2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL26132002 0.87 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL26434280 0.87 LMNA (0.57) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19939702 0.86 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL26434206 0.86 MAPK1 (0.50) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19939686 0.86 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19939685 0.86 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937940 0.86 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL26133377 0.83 LTB4R (0.46) MAPTLMNAKDM4ERAB9ATP53
SCHEMBL14599576 0.82 PPARA (0.52) KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26132334 0.81 NOS1 (0.58) LMNAKDM4ESMN1; SMN2

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