SCHEMBL6529127

SCHEMBL6529127

CCn1cc(-c2ccc(OC)cc2)nc1C=Cc1ccc(Br)cc1.CCn1cc(-c2ccc(OC)cc2)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL1481515 1.00 TLR8 (0.44) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1481511 1.00 TLR8 (0.44) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL6529126 1.00 TLR8 (0.44) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1481804 0.87 MEN1 (0.44) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1481807 0.87 MEN1 (0.44) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1481444 0.85 NPC1 (0.43) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1481442 0.85 NPC1 (0.43) TLR8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1480504 0.85 ALDH1A1 (0.44) TLR8MAPTKDM4ERAB9AALDH1A1
SCHEMBL6532905 0.85 ALDH1A1 (0.44) TLR8MAPTKDM4ERAB9AALDH1A1
SCHEMBL1480499 0.85 ALDH1A1 (0.44) TLR8MAPTKDM4ERAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed