SCHEMBL7408796

SCHEMBL7408796

N=C(N)c1ccc2[nH]c(C(CCNS(=O)(=O)Cc3ccccc3)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
F7 P08709 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
F9 P00740 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7510086 0.91 F10 (0.45) F2F10F7HDAC3HDAC4
SCHEMBL7405075 0.84 F2 (0.44) F2F10F7PRSS1GFER
SCHEMBL7510263 0.84 F2 (0.43) F2F10F7KLK1KLK5
SCHEMBL7403772 0.82 F10 (0.47) F2F10F7KLK1KLK5
SCHEMBL7407103 0.82 SMN1; SMN2 (0.46) F2F10F7MEN1KMT2A
SCHEMBL7405163 0.81 F2 (0.53) F2F10F7KLK1KLK5
SCHEMBL7406501 0.81 F2 (0.53) F2F10F7KLK1KLK5
SCHEMBL7406764 0.80 F2 (0.37) F2F10F7HDAC3HDAC4
SCHEMBL7397941 0.79 F7 (0.50) F2F10F7KLK1KLK5
SCHEMBL7406090 0.77 F10 (0.47) F2F10F7F9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed