SCHEMBL19595392

SCHEMBL19595392

O=CNc1ccc(C(=O)CBr)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 9/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ AR P10275 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL21416495 0.80 P4HTM (0.54) P4HTMALDH1A1KDM4E
SCHEMBL17729266 0.79 P4HTM (0.47) P4HTMHDAC3HDAC4HDAC1HDAC8
SCHEMBL31661380 0.77 ALDH1A1 (0.44) P4HTMMEN1KMT2AHDAC3HDAC4
SCHEMBL4314837 0.75 NPC1 (0.41) P4HTMHDAC3HDAC4HDAC1HDAC8
SCHEMBL15079228 0.75 SMN1; SMN2 (0.45) P4HTMMEN1KMT2AHDAC3HDAC4
SCHEMBL30564676 0.75 SMN1; SMN2 (0.45) P4HTMMEN1KMT2AHDAC3HDAC4
SCHEMBL16600880 0.75 GRIN2B (0.47) P4HTMMEN1KMT2AHDAC3HDAC4
SCHEMBL1849723 0.74 PTPN1 (0.52) P4HTMALDH1A1PTPN1KDM4E
SCHEMBL13547566 0.74 GSK3B (0.53) MEN1KMT2AALDH1A1PTPN1LMNA
Bromide SCHEMBL3578187 0.73 PTPN1 (0.50) P4HTMALDH1A1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 — — EP disclosed
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