SCHEMBL29636738

SCHEMBL29636738

NCCCNc1cc(C2=CCCCC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
ACP1 P24666 4/20 0.46
ACHE P22303 5/20 0.45
SMARCA2 P51531 1/20 0.45

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
SCHEMBL23015129 1.00 SLC2A1 (0.51) SLC2A1ACP1ACHESMARCA2
SCHEMBL23015271 0.82 SLC2A1 (0.49) SLC2A1ACP1
SCHEMBL29636722 0.82 SLC2A1 (0.49) SLC2A1ACP1
SCHEMBL23015098 0.74 ELANE (0.42) ACHE
SCHEMBL29636665 0.74 ELANE (0.42) ACHE
SCHEMBL6753691 0.74 SLC2A1 (0.62) SLC2A1ACP1
SCHEMBL23015082 0.73 ACP1 (0.68) SLC2A1ACP1
SCHEMBL29636675 0.73 ACP1 (0.68) SLC2A1ACP1
SCHEMBL29219443 0.72 ELANE (0.49) ACHE
SCHEMBL23015356 0.72 SLC2A1 (0.56) SLC2A1ACP1SMARCA2

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