SCHEMBL5728316

SCHEMBL5728316

Nc1ccccc1N.[NaH].[NaH]

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.91
▸ ALOX15 P16050 2/20 0.91
▸ CASP1 P29466 1/20 0.91
▸ CASP7 P55210 1/20 0.91
▸ SMN1; SMN2 Q16637 1/20 0.91
▸ ALDH1A1 P00352 6/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TSHR P16473 6/20 0.53
▸ GAA P10253 4/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KEAP1 Q14145 1/20 0.47

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
SCHEMBL29351116 0.95 — —
SCHEMBL6187 0.95 — —
SCHEMBL5167521 0.95 CYP3A4 (1.00) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1991061 0.91 — —
SCHEMBL22003326 0.91 CYP3A4 (0.91) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Ammonia Solution, Strong SCHEMBL7547107 0.91 CYP3A4 (0.91) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Fluoride SCHEMBL20497200 0.91 CYP3A4 (0.91) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL22833905 0.91 — —
Methane SCHEMBL21408528 0.91 — —
SCHEMBL1674112 0.91 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875583-B1 Primers and kits for the detection of Chlamydia trachomatis HOFFMANN LA ROCHE (CH) 2006-11-15 — — EP disclosed
EP-0420260-B1 METHOD AND KIT FOR DETECTING A TARGET NUCLEIC ACID USING A CAPTURE PROBE BOUND TO A POLYSTYRENE SUPPORT VIA AN INTERMEDIARY PROTEIN. HOFFMANN LA ROCHE (CH) 1999-12-08 — — EP disclosed
EP-0875583-A2 Primers and kits for the detection of Chlamydia trachomatis F. Hoffmann-La Roche AG (CH) 1998-11-04 — — EP disclosed
US-5232829-A Diagnostic kit containing oligonucleotide primer/probe bound to microtiter plate having a plurality of wells HOFFMANN-LA ROCHE INC. (US) 1993-08-03 — — US disclosed
EP-0420260-A2 Biotin-labelled DNA by polymerase chain reaction and detection thereof F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1991-04-03 — — EP disclosed
EP-0292128-A1 Improved DNA probes TAMIR BIOTECHNOLOGY LTD (IL) 1988-11-23 — — EP disclosed
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