SCHEMBL8443477

SCHEMBL8443477

Nc1cccc(-c2ccc(O)c(C3CCCC3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 5/20 0.45
▸ BACE1 P56817 2/20 0.43
▸ NUDT1 P36639 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.40
▸ FEN1 P39748 5/20 0.39
▸ ALOX5AP P20292 4/20 0.39
▸ CAMKK1 Q8N5S9 2/20 0.38
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL27502447 0.77 IKBKB (0.40) BACE1ASIC3FEN1ALOX5APNOS3
SCHEMBL16581487 0.76 NUDT1 (0.51) CAMKK2BACE1NUDT1HSP90AA1CAMKK1
SCHEMBL6582620 0.75 FEN1 (0.42) ASIC3FEN1ALOX5APNOS3NOS1
SCHEMBL1068254 0.75 NUDT1 (0.57) CAMKK2BACE1NUDT1HSP90AA1CAMKK1
SCHEMBL28743148 0.74 IKBKB (0.40) ASIC3FEN1ALOX5AP
SCHEMBL6583707 0.72 FEN1 (0.43) FEN1ALOX5APNOS3NOS1
SCHEMBL10589678 0.71 ERN1 (0.49) BACE1NUDT1HSP90AA1HDAC2
SCHEMBL27502061 0.71 IKBKB (0.41) ASIC3NOS3NOS1
SCHEMBL27936297 0.70 NUDT1 (0.47) CAMKK2BACE1NUDT1HSP90AA1HDAC4
Ethane SCHEMBL28278519 0.70 PTPN5 (0.46) CAMKK2BACE1NUDT1HSP90AA1FEN1

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-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 — — EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 — — WO disclosed
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