SCHEMBL7313764

SCHEMBL7313764

C=c1c(=O)[nH]c2n1Cc1c(F)ccc(OCCCCCCC(=O)NN3CCOCC3)c1N=2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
EPHX2 P34913 7/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL7313778 0.82 HTR2A (0.32) PDE3BPDE3A
SCHEMBL7309327 0.77 PDE3B (0.38) HDAC1HDAC6HDAC3HDAC2BRD4
SCHEMBL7304527 0.76 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7305746 0.73 PDE3B (0.42) HDAC1HDAC6HDAC3HDAC2BRD4
SCHEMBL7307774 0.73 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7316993 0.72 MAPT (0.34) HDAC1HDAC3HDAC2PDE3BPDE3A
SCHEMBL7317952 0.68 KMT2A (0.39) HDAC1HDAC6HDAC3HDAC2BRD4
SCHEMBL7305263 0.68 PDE3B (0.47) PDE3BPDE3A
SCHEMBL7309017 0.66 KMT2A (0.41) HDAC1HDAC6HDAC3HDAC2BRD4
SCHEMBL7315012 0.66 KMT2A (0.40) HDAC1HDAC6HDAC3HDAC2BRD4

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed