SCHEMBL8988809

SCHEMBL8988809

N=C(N)c1cccc(S(=O)(=O)c2cccc(C(=N)N)c2C(=N)N)c1C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PRSS1 P07477 5/20 0.35
PRSS2 P07478 5/20 0.35
PRSS3 P35030 5/20 0.35
F2 P00734 5/20 0.35
PLAU P00749 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CYP1A2 P05177 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
CA5A P35218 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
DNMT1 P26358 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK2 P24941 1/20 0.32

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
SCHEMBL4593438 0.72 CA1 (0.56) PRSS1PRSS2PRSS3F2CA1
SCHEMBL7562109 0.72 TTR (0.41) GAAPRSS1PRSS2PRSS3F2
SCHEMBL4593659 0.72 CDK2 (0.47) PRSS1PRSS2PRSS3F2CA1
SCHEMBL458997 0.71 F2 (0.41) GAAPRSS1PRSS2PRSS3F2
SCHEMBL10495291 0.71 ALDH1A1 (0.41) F2PLAUCA1CA2CA9
SCHEMBL3555054 0.71 BCAT2 (0.50) PRSS1PRSS2PRSS3F2CA1
SCHEMBL5740371 0.69 F2 (0.34) PRSS1PRSS2PRSS3F2PLAU
Guanidine SCHEMBL9460797 0.69 F2 (0.59) GAAPRSS1PRSS2PRSS3F2
Guanidine SCHEMBL9459681 0.69 F2 (0.59) GAAPRSS1PRSS2PRSS3F2
SCHEMBL29435078 0.68 ALOX15 (0.48) PRSS1PRSS2PRSS3F2CA1

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
US-5516813-A ROTORS STARKEY DONN R (US) 1996-05-14 US disclosed
US-5384339-A Quartz or silica radiation transparent filler, dynamic testing STARKEY DONN R (US) 1995-01-24 US disclosed