SCHEMBL6900646

SCHEMBL6900646

C(=CCc1nc2cc(-c3ncccn3)ccc2[nH]1)CCCc1nc2cc(-c3ncccn3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL549230 0.90 NPC1 (0.37) POLBKMT2AMAPTKDM4EMEN1
SCHEMBL549362 0.86 POLB (0.54) POLBKMT2AMAPTPKMKDM4E
SCHEMBL549237 0.86 POLB (0.50) POLBKMT2AMAPTPKMKDM4E
SCHEMBL5308733 0.85 POLB (0.53) POLBKMT2AMAPTPKMKDM4E
SCHEMBL548445 0.83 RAB9A (0.45) POLBKMT2AMAPTKDM4ENPC1
SCHEMBL549231 0.79 F2 (0.44) POLBKMT2ATDP1RAB9A
SCHEMBL549175 0.79 POLB (0.35) POLBKMT2AMAPTPKMKDM4E
SCHEMBL548491 0.78 F10 (0.43) POLBMAPTPKMNPC1LMNA
SCHEMBL549363 0.75 MAPT (0.55) POLBKMT2AMAPTPKMKDM4E
SCHEMBL549238 0.75 KMT2A (0.56) POLBKMT2AMAPTPKMKDM4E

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-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 WO disclosed