SCHEMBL27166226

SCHEMBL27166226

CCOc1ccc(CC2CN(Cc3ccc(OC)cc3)CCN(Cc3ccccc3)CCN(Cc3ccccc3)CCN2Cc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HRH2 P25021 1/20 0.57
MAPK1 P28482 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL27166289 0.92 SIGMAR1 (0.66) SIGMAR1MEN1KMT2AHRH2
SCHEMBL27166236 0.91 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AHRH2MAPK1
SCHEMBL27166269 0.90 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AHRH2MAPK1
SCHEMBL27166245 0.90 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AHRH2MAPK1
SCHEMBL27268679 0.87 SIGMAR1 (0.62) SIGMAR1HRH2LMNA
SCHEMBL27166295 0.87 SIGMAR1 (0.62) SIGMAR1HRH2LMNA
SCHEMBL27166282 0.87 SIGMAR1 (0.62) SIGMAR1HRH2LMNA
SCHEMBL27166251 0.82 LMNA (0.49) SIGMAR1MEN1KMT2AHRH2MAPK1
SCHEMBL5557651 0.82 SIGMAR1 (0.78) SIGMAR1MEN1KMT2AHRH2LMNA
SCHEMBL5557647 0.82 SIGMAR1 (0.78) SIGMAR1MEN1KMT2AHRH2LMNA

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-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed