SCHEMBL11022181

SCHEMBL11022181

Cc1ccnc(-n2[se]c3ccccc3c2=S)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.36
▸ MPI P34949 2/20 0.36
▸ PHOSPHO1 Q8TCT1 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ QSOX1 O00391 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ PMM2 O15305 1/20 0.33
▸ PLIN1 O60240 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ BBOX1 O75936 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYBB P04839 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL10502118 0.84 NPSR1 (0.44) METAP2MPIPHOSPHO1NPSR1KDM4E
SCHEMBL10744532 0.81 HRH4 (0.44) METAP2MPIPHOSPHO1NPSR1CYP2A6
SCHEMBL10744770 0.75 KDM4E (0.44) METAP2MPIPHOSPHO1NPSR1CYP2A6
SCHEMBL10502530 0.75 MPI (0.41) METAP2MPIPHOSPHO1CYP2A6ALDH1A1
SCHEMBL10501684 0.74 SMN1; SMN2 (0.45) METAP2MPIPHOSPHO1KDM4EALDH1A1
SCHEMBL10747582 0.73 METAP2 (0.40) METAP2MPIPHOSPHO1NPSR1KDM4E
SCHEMBL10501737 0.72 METAP2 (0.41) METAP2MPIPHOSPHO1NPSR1CYP2A6
SCHEMBL10501811 0.72 MPI (0.48) METAP2MPIPHOSPHO1NPSR1KDM4E
SCHEMBL10502474 0.71 ALDH1A1 (0.38) METAP2MPIPHOSPHO1NPSR1KDM4E
SCHEMBL10502218 0.70 CYP1A2 (0.47) METAP2KDM4EALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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