SCHEMBL30954041

SCHEMBL30954041

COc1c(Cl)cc2c(c1C(=O)O)OCCN2Cc1nccs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
TSHR P16473 4/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 1/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 2/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL27435450 1.00 CYP3A4 (0.38) CYP3A4HSP90AA1HSP90B1TSHRMAPK1
SCHEMBL27435439 0.92 HSP90B1 (0.44) CYP3A4HSP90AA1HSP90B1TSHRMAPK1
SCHEMBL30954078 0.89 GRM5 (0.33) CYP3A4HSP90AA1HSP90B1TSHRMAPK1
SCHEMBL27435494 0.89 GRM5 (0.33) CYP3A4HSP90AA1HSP90B1TSHRMAPK1
SCHEMBL30954045 0.83 POLB (0.42) ALDH1A1KDM4EHSD17B10USP2
SCHEMBL27433854 0.83 POLB (0.42) ALDH1A1KDM4EHSD17B10USP2
SCHEMBL27434629 0.82 KDM4E (0.33) ALDH1A1KDM4EHSD17B10
SCHEMBL30954060 0.82 KDM4E (0.33) ALDH1A1KDM4EHSD17B10
SCHEMBL27435477 0.81 HSP90B1 (0.40) CYP3A4HSP90AA1HSP90B1TSHRMAPK1
SCHEMBL27435528 0.81 KCNA3 (0.41) TSHRALDH1A1KDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP claimed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO claimed
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed