SCHEMBL27434629

SCHEMBL27434629

COc1c(Cl)cc2c(c1C(=O)O)OCCN2Cc1ncco1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ACACB O00763 1/20 0.32
DRD3 P35462 2/20 0.31
NOTUM Q6P988 1/20 0.31
CTSA P10619 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL30954060 1.00 KDM4E (0.33) KDM4EALDH1A1HSD17B10PTGDR2ACACB
SCHEMBL27434615 0.91 ACACB (0.32) KDM4EHSD17B10PTGDR2ACACBDRD3
SCHEMBL30954041 0.82 CYP3A4 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL27435450 0.82 CYP3A4 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL27435528 0.82 KCNA3 (0.41) KDM4EALDH1A1HSD17B10ACACBDRD3
SCHEMBL27435335 0.81 KDM4E (0.40) KDM4EALDH1A1HSD17B10DRD3
SCHEMBL30954160 0.81 KDM4E (0.40) KDM4EALDH1A1HSD17B10DRD3
SCHEMBL30954067 0.80 TP53 (0.42) KDM4EALDH1A1HSD17B10
SCHEMBL27435254 0.80 TP53 (0.42) KDM4EALDH1A1HSD17B10
SCHEMBL30954045 0.78 POLB (0.42) KDM4EALDH1A1HSD17B10DRD3

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
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO claimed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed