SCHEMBL8972805

SCHEMBL8972805

COc1ccc(-c2ccccc2C(Cl)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 0.50
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN1 P18031 1/20 0.44
MAPT P10636 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.42
AGTR1 P30556 1/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14622110 0.79 ALDH1A1 (0.43) MAPTRAB9ATSHRL3MBTL1MITF
SCHEMBL28806943 0.79 ALDH1A1 (0.51) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL13913541 0.79 ABL1 (0.56) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL6807218 0.77 ABL1 (0.55) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL3280004 0.76 CYP2A6 (0.43) HDAC4HDAC2HDAC8MAPTTSHR
SCHEMBL874908 0.76 ACP3 (0.56) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL4457608 0.75 KMT2A (0.48) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL12715050 0.75 ABL1 (0.79) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2277677 0.75 CA1 (0.58) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL27613425 0.75 ABL1 (0.51) ABL1ABCB1BCRHDAC4HDAC2

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-0416817-B1 Amplification processes ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5525494-A Amplification processes ZENECA LIMITED (GB) 1996-06-11 US disclosed
EP-0416817-A2 Amplification processes ZENECA LIMITED (GB) 1991-03-13 EP disclosed