SCHEMBL21078267

SCHEMBL21078267

C=Cc1ccc(C(=O)N2CCC(CCOC)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ TEAD1 P28347 2/20 0.44
▸ TEAD3 Q99594 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL3 Q96JM7 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CACNA1B Q00975 1/20 0.41

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
SCHEMBL10724025 0.89 AKR1C3 (0.58) AKR1C3HPGDPOLBGAAL3MBTL3
SCHEMBL10720569 0.79 AKR1C3 (0.60) AKR1C3L3MBTL3HDAC3HDAC4HDAC1
SCHEMBL10724005 0.76 HPGD (0.52) HPGDPOLBGAAL3MBTL3HDAC3
SCHEMBL19479127 0.74 DRD3 (0.64) HPGDPOLBGAAKMT2AMEN1
SCHEMBL10724903 0.73 HDAC3 (0.56) HPGDPOLBL3MBTL3HDAC3HDAC4
SCHEMBL395217 0.72 POLB (0.63) HPGDPOLBL3MBTL3KMT2AMEN1
SCHEMBL23884836 0.72 AKR1C3 (0.47) AKR1C3L3MBTL3HDAC3HDAC4HDAC1
SCHEMBL4900673 0.72 HPGD (0.71) HPGDL3MBTL3KMT2AMEN1
SCHEMBL28204197 0.71 AKR1C3 (0.49) AKR1C3TEAD1TEAD3KMT2AMEN1
SCHEMBL10720264 0.71 HPGD (0.59) HPGDL3MBTL3HDAC3HDAC4HDAC1

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
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