SCHEMBL10501559

SCHEMBL10501559

O=c1c2ccc(C(F)(F)F)cc2[se]n1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC11A2 P49281 4/20 0.44
▸ PDCD1 Q15116 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ MAT2A P31153 4/20 0.42
▸ KIF11 P52732 1/20 0.39
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL10749727 0.88 MAT2A (0.47) MAT2AKIF11TRPV1
SCHEMBL10502254 0.85 SLC11A2 (0.39) SLC11A2PDCD1CD274MAT2AKIF11
SCHEMBL5916905 0.83 METAP2 (0.48) SLC11A2
SCHEMBL5916813 0.80 METAP2 (0.41) —
SCHEMBL5916573 0.80 MAT2A (0.45) PDCD1CD274MAT2A
SCHEMBL5916754 0.80 MPI (0.50) SLC11A2
SCHEMBL10502403 0.80 METAP2 (0.59) MAT2A
SCHEMBL30530469 0.79 METAP2 (0.57) —
SCHEMBL1353489 0.79 METAP2 (0.57) —
SCHEMBL5916746 0.78 METAP2 (0.53) SLC11A2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154851-B1 BENZISOSELENAZOLETHIONES,PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PRODUCTS CONTAINING THESE COMPOUNDS A. Nattermann & Cie. GmbH (DE) 1989-08-02 — — EP disclosed
US-4711961-A Benzisoselenazolethiones and process for the treatment of various diseases in humans A. NATTERMANN & CIE GMBH (DE) 1987-12-08 — — US disclosed
EP-0154851-A1 Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-18 — — EP disclosed
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