SCHEMBL25376559

SCHEMBL25376559

O=C(c1cc2nc(CCl)ccc2[nH]1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HRH3 Q9Y5N1 8/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HRH4 Q9H3N8 4/20 0.43
▸ SYK P43405 4/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ ALPL P05186 1/20 0.40

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
SCHEMBL30163500 0.89 POLB (0.56) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL30552687 0.84 POLB (0.59) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL25431128 0.84 POLB (0.59) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL31428828 0.81 POLB (0.59) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL31428559 0.80 POLB (0.56) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL3369566 0.74 HRH4 (0.59) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL18889291 0.74 HRH4 (0.76) POLBSMN1; SMN2HRH3KMT2AMEN1
SCHEMBL2770082 0.72 HRH4 (0.71) POLBSMN1; SMN2HRH3KMT2AHRH4
SCHEMBL3253717 0.71 POLB (1.00) POLBSMN1; SMN2HRH3HRH4
SCHEMBL2768817 0.71 HRH3 (0.76) POLBSMN1; SMN2HRH3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482583-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 — — EP disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 — — WO disclosed
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