SCHEMBL8328813

SCHEMBL8328813

O=C(NCCO)c1ccc(CCc2ncccc2OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 2/20 0.58
▸ SPHK1 Q9NYA1 1/20 0.58
▸ BRD4 O60885 2/20 0.53
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PPIA P62937 1/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC3 O15379 1/20 0.44

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
SCHEMBL8408143 0.84 SPHK2 (0.63) SPHK2SPHK1BRD4LMNAHDAC6
SCHEMBL8324158 0.84 PTGER1 (0.61) MAPTKDM4EALDH1A1KMT2APPIA
SCHEMBL8322962 0.83 SPHK2 (0.58) SPHK2SPHK1BRD4LMNAHDAC6
SCHEMBL8320173 0.82 KMT2A (0.60) LMNAHTTMAPTALDH1A1RAB9A
SCHEMBL8325162 0.77 PTGER1 (0.69) MAPTKDM4EALDH1A1KMT2APPIA
SCHEMBL8323273 0.77 SPHK2 (0.59) SPHK2SPHK1BRD4MAPTRAB9A
SCHEMBL7296744 0.76 SPHK2 (0.80) SPHK2SPHK1BRD4LMNAHTT
SCHEMBL8320496 0.76 KMT2A (0.57) LMNAHTTMAPTALDH1A1RAB9A
SCHEMBL14704514 0.75 BRD4 (0.72) SPHK2SPHK1BRD4HDAC6KDM4E
SCHEMBL30216939 0.75 BRD4 (0.72) SPHK2SPHK1BRD4HDAC6KDM4E

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 3 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 — — WO disclosed
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