SCHEMBL29636724

SCHEMBL29636724

NCCCNc1cc(C2CCNCC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 18/20 0.49
SLC2A1 P11166 1/20 0.46

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
SCHEMBL23015130 1.00 ACP1 (0.49) ACP1SLC2A1
SCHEMBL23029691 0.85 ACP1 (0.58) ACP1SLC2A1
SCHEMBL23029690 0.77 ACP1 (0.50) ACP1SLC2A1
SCHEMBL30998387 0.74 HRH4 (0.50)
SCHEMBL23015271 0.74 SLC2A1 (0.49) ACP1SLC2A1
SCHEMBL29636722 0.74 SLC2A1 (0.49) ACP1SLC2A1
SCHEMBL23029697 0.74 ACP1 (0.55) ACP1SLC2A1
SCHEMBL29636644 0.74 KMT2A (0.42) ACP1
SCHEMBL28967174 0.74 KMT2A (0.42) ACP1
Hydrochloric Acid SCHEMBL29862942 0.73 KMT2A (0.49)

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
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 claimed
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