SCHEMBL9413801

SCHEMBL9413801

CNc1cc(N)nc(SC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NUDT1 P36639 5/20 0.39
▸ HSP90AB1 P08238 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL10878260 0.85 MEN1 (0.43) MEN1KMT2ANUDT1NOS3NOS2
SCHEMBL3625881 0.80 HSP90AB1 (0.46) MEN1KMT2AHSP90AB1NOS3NOS2
SCHEMBL12781970 0.80 MEN1 (0.41) MEN1KMT2ANUDT1HSP90AB1NOS3
SCHEMBL11305748 0.79 ADORA3 (0.38) MEN1KMT2AHSP90AB1NOS3NOS2
SCHEMBL3461180 0.78 KMT2A (0.59) MEN1KMT2ANOS3NOS2KDM4E
SCHEMBL3461179 0.78 MEN1 (0.39) MEN1KMT2ANUDT1NOS3NOS2
SCHEMBL4249530 0.77 ADORA3 (0.56) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL2614898 0.76 KMT2A (0.57) MEN1KMT2ANOS3NOS2KDM4E
SCHEMBL3735503 0.74 NUDT1 (0.59) MEN1KMT2ANUDT1MAPT
SCHEMBL8018804 0.72 KMT2A (0.49) MEN1KMT2AHSP90AB1NOS3NOS2

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-0582261-A1 Cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-02-09 — — EP disclosed
US-4565864-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-01-21 — — US disclosed
US-4503050-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1985-03-05 — — US disclosed
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