SCHEMBL8320173

SCHEMBL8320173

COC(=O)c1ccc(CCc2ncccc2OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PKM P14618 2/20 0.53
▸ PPIA P62937 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ RXRA P19793 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER4 P35408 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL8320496 0.93 KMT2A (0.57) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL8324158 0.88 PTGER1 (0.61) KMT2AMAPTPPIAALDH1A1RXRA
SCHEMBL6275728 0.87 KMT2A (0.51) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL6255832 0.84 HSP90AA1 (0.52) KMT2AMAPTLMNARAB9APKM
SCHEMBL8406671 0.83 HTR1A (0.66) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL8328813 0.82 SPHK2 (0.58) KMT2AMAPTLMNARAB9APPIA
SCHEMBL8328747 0.81 MAPT (0.54) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL8325162 0.81 PTGER1 (0.69) KMT2AMAPTPPIAALDH1A1RXRA
SCHEMBL8677473 0.80 TDP1 (0.53) KMT2ALMNARAB9APPIAPOLB
SCHEMBL6274381 0.80 KDM4E (0.57) KMT2AMAPTL3MBTL1PKMALDH1A1

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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