Sugi Predict

Sugi Predict / Compounds / SCHEMBL17894545

SCHEMBL17894545

SCHEMBL17894545

N=C(N)NCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.N=C(N)NCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.N=C(N)NCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.N=C(N)NCc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.N=C(N)NCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.N=C(N)NCc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1.N=C(N)NCc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 1/20 0.45
▸ NAMPT P43490 3/20 0.42
▸ PGR P06401 1/20 0.41
▸ IDH1 O75874 3/20 0.41
▸ TUBB P07437 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 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
SCHEMBL17894397 0.81 MAPT (0.57) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL19639260 0.80 NR3C1 (0.55) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL19639245 0.80 PTGES2 (0.47) MEN1KMT2ALMNAPGR
SCHEMBL17894501 0.79 PGR (0.56) MAPTMEN1KMT2AHTTNPSR1
Trifluoroacetic Acid SCHEMBL17894375 0.78 MAPT (0.42) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL17894395 0.78 PGR (0.62) MAPTLMNANAMPTPGRTUBB
SCHEMBL19639311 0.78 CYP19A1 (0.59) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL17894463 0.78 PGR (0.52) NAMPTPGRGAA
Trifluoroacetic Acid SCHEMBL17894496 0.77 MAPT (0.57) MAPTMEN1KMT2AHTTNPSR1
Trifluoroacetic Acid SCHEMBL17894409 0.77 MAPT (0.54) MAPTMEN1KMT2AHTTNPSR1

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-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 — — EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 — — WO disclosed