SCHEMBL7680919

SCHEMBL7680919

CCCCNc1nc(Cl)nc2c(CC)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR8 Q9NR97 3/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
NCOR2 Q9Y618 1/20 0.35
SLC29A1 Q99808 1/20 0.35
HTR6 P50406 2/20 0.34
TLR7 Q9NYK1 2/20 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
SCHEMBL7683034 0.85 PRKCI (0.46) KDM4ENPSR1L3MBTL1TLR8HDAC1
SCHEMBL7687751 0.81 PRKCI (0.45) KDM4ENPSR1L3MBTL1TLR8HDAC1
SCHEMBL7685581 0.80 ALDH1A1 (0.42) KDM4EL3MBTL1KMT2APDE4BPDE7A
SCHEMBL7677206 0.80 PRKCI (0.44) KDM4ENPSR1L3MBTL1TLR8HDAC1
SCHEMBL7680936 0.80 PRKCI (0.44) KDM4ENPSR1L3MBTL1TLR8HDAC1
SCHEMBL7677137 0.80 PRKCI (0.44) KDM4ENPSR1L3MBTL1TLR8HDAC1
SCHEMBL7686027 0.78 PDE7A (0.35) KMT2APDE4BPDE7A
SCHEMBL2920664 0.76 PRKCI (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7679236 0.75 PDE4B (0.37) PDE4BPDE7A
SCHEMBL23498347 0.74 SMN1; SMN2 (0.47) KDM4EHTR6KMT2AHSD17B10

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
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed