SCHEMBL4310236

SCHEMBL4310236

CCC(CC)(Oc1ccc(C(=N)N)cc1)Oc1ccc(C(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
F2 P00734 3/20 0.53
ST14 Q9Y5Y6 3/20 0.53
PLAU P00749 2/20 0.53
TMPRSS2 O15393 2/20 0.52
PRMT1 Q99873 3/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL8235372 0.79 PRSS1 (0.61) PRSS1PRSS2PRSS3F2ST14
SCHEMBL12348104 0.75 PRSS1 (0.52) PRSS1PRSS2PRSS3F2ST14
SCHEMBL25808192 0.75 PRSS1 (0.56) PRSS1PRSS2PRSS3F2ST14
SCHEMBL429697 0.75 ST14 (0.59) PRSS1PRSS2PRSS3F2ST14
SCHEMBL428950 0.75 PRSS1 (1.00) PRSS1PRSS2PRSS3F2ST14
SCHEMBL15145313 0.74 PRSS1 (0.50) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL11613449 0.73 PRSS1 (0.96) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL1550092 0.73 ST14 (0.57) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL25262157 0.72 ST14 (0.55) PRSS1PRSS2PRSS3F2ST14
SCHEMBL9650651 0.72 PRSS1 (0.81) PRSS1PRSS2PRSS3F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed