SCHEMBL29636689

SCHEMBL29636689

COc1ccc(-c2cc(NCCCN)c3ccccc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 17/20 0.73
SYK P43405 1/20 0.67

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
SCHEMBL23015135 1.00 ACP1 (0.73) ACP1SYK
SCHEMBL23015121 0.96 ACP1 (0.68) ACP1SYK
SCHEMBL29636697 0.96 ACP1 (0.68) ACP1SYK
Hydrochloric Acid SCHEMBL29636794 0.95 ACP1 (0.67) ACP1SYK
Hydrochloric Acid SCHEMBL23015090 0.95 ACP1 (0.67) ACP1SYK
SCHEMBL23015208 0.92 ACP1 (0.63) ACP1SYK
SCHEMBL23029619 0.91 ACP1 (0.64) ACP1SYK
SCHEMBL23029722 0.90 ACP1 (0.63) ACP1SYK
SCHEMBL23015139 0.89 ACP1 (0.82) ACP1
SCHEMBL29636705 0.89 ACP1 (0.82) ACP1

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 3 patents. 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 claimed
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
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed