SCHEMBL10746433

SCHEMBL10746433

O=[N+]([O-])c1ccc2nc(-n3[se]c4ccccc4c3=S)nnc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ RHOA P61586 1/20 0.35
▸ C1R P00736 1/20 0.35

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
SCHEMBL10744909 0.87 IDO1 (0.42) KMT2AMEN1IDO1TDO2IDO2
SCHEMBL10748283 0.80 METAP2 (0.36) KMT2AMEN1IDO1MAPTLMNA
SCHEMBL10744792 0.80 PIK3CG (0.40) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL10747393 0.80 METAP2 (0.39) KMT2AMEN1CYP1A2IDO1MAPT
SCHEMBL10747422 0.77 MEN1 (0.41) KMT2AMEN1IDO1MAPTLMNA
SCHEMBL10745118 0.76 RAB9A (0.53) KMT2AMEN1CYP1A2MAPTNPC1
SCHEMBL10503512 0.75 ALDH1A1 (0.44) KMT2AMEN1IDO1MAPTNPC1
SCHEMBL10501312 0.74 MEN1 (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL10501265 0.74 MPI (0.49) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL10502143 0.74 METAP2 (0.45) KMT2AMEN1IDO1TDO2IDO2

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-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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