SCHEMBL7363398

SCHEMBL7363398

NN=Cc1cccc(C(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.58
F2 P00734 2/20 0.58
PRSS1 P07477 2/20 0.58
HDAC8 Q9BY41 4/20 0.51
HTR6 P50406 3/20 0.46
HDAC1 Q13547 5/20 0.44
HDAC4 P56524 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL7458607 0.95 F10 (0.53) F10F2PRSS1HDAC8HTR6
SCHEMBL7361417 0.84 F10 (0.52) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361312 0.84 F10 (0.54) F10F2PRSS1
SCHEMBL7365693 0.83 F10 (0.53) F10F2PRSS1
SCHEMBL7363395 0.82 F10 (0.83) F10F2PRSS1HDAC8HTR6
Trifluoroacetic Acid SCHEMBL7451765 0.80 F10 (0.45) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7454348 0.79 F10 (0.47) F10F2PRSS1
SCHEMBL7367192 0.79 F10 (0.42) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7453858 0.78 F10 (0.47) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7458596 0.78 F2 (0.75) F10F2PRSS1

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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed