SCHEMBL8322962

SCHEMBL8322962

O=C(NCCO)c1ccc(CCc2cccnc2OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 2/20 0.58
▸ SPHK1 Q9NYA1 1/20 0.58
▸ RAB9A P51151 9/20 0.49
▸ BRD4 O60885 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.45
▸ NPC1 O15118 8/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CNR2 P34972 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL8325122 0.85 POLB (0.56) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL8408143 0.84 SPHK2 (0.63) SPHK2SPHK1RAB9ABRD4KMT2A
SCHEMBL8322839 0.84 PTGER4 (0.57) KMT2AMEN1SMN1; SMN2
SCHEMBL8328813 0.83 SPHK2 (0.58) SPHK2SPHK1RAB9ABRD4KMT2A
SCHEMBL8163071 0.82 HDAC2 (0.59) SPHK2SPHK1RAB9AKMT2AMEN1
SCHEMBL8328747 0.82 MAPT (0.54) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL6258710 0.78 NPC1 (0.60) SPHK2SPHK1RAB9AHDAC6NPC1
SCHEMBL8326623 0.77 PTGER1 (0.69) KMT2AMEN1SMN1; SMN2HDAC8
SCHEMBL8323273 0.77 SPHK2 (0.59) SPHK2SPHK1RAB9ABRD4KMT2A
SCHEMBL7296744 0.76 SPHK2 (0.80) SPHK2SPHK1RAB9ABRD4KMT2A

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 — — EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 — — EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 — — WO disclosed
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