SCHEMBL7986314

SCHEMBL7986314

N=C(N)c1cccc(S(=O)(=O)NCc2ccc(OCOCOc3ccc(CNS(=O)(=O)c4cccc(C(=N)N)c4)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
F2 P00734 11/20 0.53
TMPRSS6 Q8IU80 5/20 0.53
RAB9A P51151 2/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7423694 0.92 RAB9A (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL7389439 0.91 RAB9A (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL7982625 0.91 RAB9A (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL7986806 0.90 RAB9A (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL7986111 0.90 RAB9A (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL7984063 0.90 RAB9A (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL10035190 0.88 HTT (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL7420940 0.87 F10 (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL7986856 0.82 HTT (0.57) F10F2TMPRSS6RAB9AHTT
SCHEMBL7538755 0.80 PRSS1 (0.59) F10PRSS1PRSS2PRSS3F2

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US claimed