SCHEMBL11639403

SCHEMBL11639403

C=CCSc1ccccc1C=NNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ GAA P10253 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CTRC Q99895 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL11639400 0.78 MEN1 (0.32) HTTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL7754006 0.76 HPGD (0.49) HTTL3MBTL1MEN1KMT2ANPC1
SCHEMBL7754004 0.76 HPGD (0.49) HTTL3MBTL1MEN1KMT2ANPC1
SCHEMBL11757728 0.76 MAPT (0.50) HTTKDM4EGAAL3MBTL1MEN1
SCHEMBL11757735 0.76 MAPT (0.50) HTTKDM4EGAAL3MBTL1MEN1
SCHEMBL11634628 0.73 KMT2A (0.62) HTTKDM4EGAAMEN1KMT2A
SCHEMBL14863383 0.73 GAA (0.37) HTTGAAL3MBTL1MEN1KMT2A
Maleic Acid SCHEMBL11635543 0.72 SMN1; SMN2 (0.39) HTTKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6746442 0.71 KDM4E (0.70) HTTKDM4EGAAL3MBTL1MAOB
SCHEMBL21519509 0.71 GAA (0.47) KDM4EGAAL3MBTL1MAOBMEN1

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
US-4109008-A SUBSTITUTED WITH AN AMIDINO AND A 1,3-DIMETHYL-2-OXO-BENZIMIDAZOL- 5-YL RADICAL HEXACHIMIE (FR) 1978-08-22 — — US disclosed
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