SCHEMBL8324434

SCHEMBL8324434

COC(=O)c1ccc(C=Cc2ncccc2OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
PPIA P62937 5/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL8324432 1.00 KMT2A (0.55) KMT2APPIAMAPTLMNARAB9A
SCHEMBL8322849 0.88 KMT2A (0.56) KMT2APPIAMAPTLMNARAB9A
SCHEMBL8322845 0.88 KMT2A (0.56) KMT2APPIAMAPTLMNARAB9A
SCHEMBL7774977 0.83 KMT2A (0.62) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL7774973 0.83 KMT2A (0.62) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL30078173 0.82 KMT2A (0.63) KMT2APPIAMAPTLMNARAB9A
SCHEMBL15065516 0.82 KMT2A (0.63) KMT2APPIAMAPTLMNARAB9A
SCHEMBL8326381 0.82 HTT (0.49) KMT2APPIAMAPTLMNARAB9A
SCHEMBL8325277 0.82 HTT (0.49) KMT2APPIAMAPTLMNARAB9A
SCHEMBL8825634 0.80 HDAC8 (0.50) PPIAALDH1A1HDAC8

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