SCHEMBL29636834

SCHEMBL29636834

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.51
ACP1 P24666 9/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
KDM1A O60341 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL23015131 1.00 SLC2A1 (0.51) SLC2A1ACP1KDM4EALDH1A1POLB
SCHEMBL29636840 0.92 ACP1 (0.44) SLC2A1ACP1KDM4EALDH1A1LMNA
SCHEMBL23015198 0.92 ACP1 (0.44) SLC2A1ACP1KDM4EALDH1A1LMNA
SCHEMBL29636793 0.90 ACP1 (0.47) SLC2A1ACP1KDM1AEHMT2RCOR1
SCHEMBL23015171 0.90 ACP1 (0.47) SLC2A1ACP1KDM1AEHMT2RCOR1
SCHEMBL23015284 0.88 EHMT2 (0.59) SLC2A1KDM1AEHMT2RCOR1
SCHEMBL29636825 0.87 ACP1 (0.44) SLC2A1ACP1KDM4EALDH1A1POLB
SCHEMBL23015290 0.85 SLC2A1 (0.52) SLC2A1ACP1KDM4EALDH1A1POLB
SCHEMBL6751610 0.84 SLC2A1 (0.61) SLC2A1ACP1KDM4EALDH1A1POLB
SCHEMBL23015096 0.83 ACP1 (0.50) SLC2A1ACP1KDM4EALDH1A1POLB

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