SCHEMBL7366852

SCHEMBL7366852

O=C(CCCCCBr)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MMP1 P03956 1/20 0.59
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
HDAC8 Q9BY41 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
POLB P06746 1/20 0.52
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL19317523 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317525 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19305819 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317522 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317519 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL10534992 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317524 0.93 L3MBTL1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317521 0.92 MMP1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL19317520 0.88 MMP1 (0.68) L3MBTL1LMNAMAPTTDP1MMP1
SCHEMBL7563621 0.86 HSD17B3 (0.61) L3MBTL1LMNAMAPTTDP1MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724577-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011238-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed