SCHEMBL10744992

SCHEMBL10744992

COc1ccc2nc(-n3[se]c4ccccc4c3=S)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SLC11A2 P49281 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ POLB P06746 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44

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
SCHEMBL5916793 0.86 METAP2 (0.57) MAPTTSHRTDP1NPC1RAB9A
SCHEMBL10744989 0.81 KAT2A (0.47) TSHRTDP1NPC1RAB9ASLC11A2
SCHEMBL10746112 0.81 NPC1 (0.43) MAPTTSHRNPC1RAB9ASLC11A2
SCHEMBL10745118 0.77 RAB9A (0.53) MAPTTSHRTDP1NPC1RAB9A
SCHEMBL10748167 0.75 ALDH1A1 (0.51) MAPTTSHRTDP1NPC1RAB9A
SCHEMBL5916945 0.74 MAPT (0.53) MAPTTSHRTDP1NPC1RAB9A
SCHEMBL10501336 0.73 METAP2 (0.50) MAPTTDP1PKMMEN1KMT2A
SCHEMBL10502310 0.73 METAP2 (0.52) MAPTTDP1PKMMEN1KMT2A
SCHEMBL10502111 0.73 METAP2 (0.68) MAPTTDP1PKMMEN1KMT2A
SCHEMBL10500974 0.73 METAP2 (0.54) MAPTKMT2AHTTLMNAHPGD

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
Send feedback