SCHEMBL25924740

SCHEMBL25924740

CCCN1CCN(C2CCN(CC3CN(C)C3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.36
DRD2 P14416 5/20 0.35
SLC6A4 P31645 3/20 0.35
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL23875466 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4ETDP1
SCHEMBL24319406 0.86 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1
SCHEMBL24745088 0.86 DRD2 (0.37) SMN1; SMN2DRD2
SCHEMBL26705143 0.81 KDM4E (0.33) KDM4ETDP1
SCHEMBL24745758 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2ADRD2SLC6A4
SCHEMBL22043172 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2ADRD2SLC6A4
SCHEMBL24204398 0.80 NCF1 (0.41) ALDH1A1KDM4ETDP1
SCHEMBL27267885 0.79 KMT2A (0.37) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL24319470 0.79 KDM4E (0.34) KDM4ETDP1
SCHEMBL25815386 0.79 SMN1; SMN2 (0.34) SMN1; SMN2KMT2A

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-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed