SCHEMBL9701366

SCHEMBL9701366

ONCCn1cc(Cc2ccccc2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
POLB P06746 1/20 0.49
CYP19A1 P11511 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
KRAS P01116 1/20 0.45
ALOX5 P09917 1/20 0.44
KMT2A Q03164 1/20 0.44
PADI4 Q9UM07 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SLC5A2 P31639 1/20 0.42

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
SCHEMBL28313770 0.81 HDAC1 (0.68) HTR6HDAC1HDAC8HDAC6POLB
SCHEMBL3328890 0.77 HTR6 (1.00) HTR6HDAC3
SCHEMBL9701519 0.76 KMT2A (0.60) HTR6HDAC3HDAC1HDAC8HDAC6
SCHEMBL12472492 0.75 HDAC6 (1.00) HDAC3HDAC1HDAC8HDAC6
SCHEMBL9701331 0.74 HTR6 (0.62) HTR6HDAC3HDAC1HDAC8HDAC6
SCHEMBL9701189 0.73 HTR6 (0.58) HTR6HDAC3HDAC1HDAC8HDAC6
SCHEMBL9701185 0.73 HTR6 (0.58) HTR6HDAC3HDAC1HDAC8HDAC6
SCHEMBL9701802 0.73 HTR6 (0.64) HTR6HDAC3HDAC1HDAC8HDAC6
SCHEMBL12850750 0.73 GPR84 (0.79) HTR6KMT2AGPR84ALDH1A1LMNA
SCHEMBL15705728 0.72 HDAC6 (0.82) HTR6HDAC3HDAC1HDAC8HDAC6

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-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed