SCHEMBL23029664

SCHEMBL23029664

CNCCCNc1cc(-c2ccc(OC)cc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 17/20 0.73
SLC2A1 P11166 1/20 0.62

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
SCHEMBL29636786 1.00 ACP1 (0.73) ACP1SLC2A1
Hydrochloric Acid SCHEMBL23015218 0.99 ACP1 (0.72) ACP1SLC2A1
Hydrochloric Acid SCHEMBL29636824 0.99 ACP1 (0.72) ACP1SLC2A1
SCHEMBL29636787 0.92 ACP1 (0.66) ACP1SLC2A1
SCHEMBL23015094 0.92 ACP1 (0.66) ACP1SLC2A1
Hydrochloric Acid SCHEMBL29874811 0.91 ACP1 (0.64) ACP1SLC2A1
SCHEMBL23015244 0.90 ACP1 (0.63) ACP1SLC2A1
SCHEMBL29636710 0.90 ACP1 (0.63) ACP1SLC2A1
Hydrochloric Acid SCHEMBL29636768 0.89 ACP1 (0.62) ACP1SLC2A1
SCHEMBL23015122 0.88 ACP1 (0.73) ACP1SLC2A1

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-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO disclosed