SCHEMBL29636840

SCHEMBL29636840

CN(CCCN)CCCNc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.44
SLC2A1 P11166 2/20 0.43
ATR Q13535 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL23015198 1.00 ACP1 (0.44) ACP1SLC2A1ATRALDH1A1KDM4E
SCHEMBL23015131 0.92 SLC2A1 (0.51) ACP1SLC2A1ALDH1A1KDM4ELMNA
SCHEMBL29636834 0.92 SLC2A1 (0.51) ACP1SLC2A1ALDH1A1KDM4ELMNA
SCHEMBL28967194 0.90 ACP1 (0.49) ACP1SLC2A1PDE10A
Trifluoroacetic Acid SCHEMBL29636818 0.83 ACP1 (0.47) ACP1SLC2A1
SCHEMBL23029676 0.82 ACP1 (0.51) ACP1SLC2A1ALDH1A1KDM4E
SCHEMBL23015171 0.82 ACP1 (0.47) ACP1SLC2A1MAPT
SCHEMBL29636793 0.82 ACP1 (0.47) ACP1SLC2A1MAPT
SCHEMBL26967698 0.82 MAPT (0.47) SLC2A1ALDH1A1KDM4ELMNAGAA
SCHEMBL23015284 0.80 EHMT2 (0.59) SLC2A1

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed