SCHEMBL22103769

SCHEMBL22103769

Cc1cc(/C=N/Nc2nc3ccccc3s2)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 0.64
▸ RAB9A P51151 13/20 0.64
▸ KMT2A Q03164 13/20 0.64
▸ NPC1 O15118 12/20 0.64
▸ GAA P10253 12/20 0.64
▸ MEN1 O00255 12/20 0.64
▸ KDM4E B2RXH2 7/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ TDP1 Q9NUW8 5/20 0.61
▸ NPSR1 Q6W5P4 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ BLM P54132 1/20 0.61
▸ SMN1; SMN2 Q16637 12/20 0.61
▸ NFKB1 P19838 4/20 0.61
▸ NFKB2 Q00653 4/20 0.61
▸ RELA Q04206 4/20 0.61
▸ HPGD P15428 3/20 0.61
▸ GLA P06280 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL1165591 0.82 MAPT (0.68) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL1165592 0.82 MAPT (0.68) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL1231354 0.81 MAPT (0.70) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL1231353 0.81 MAPT (0.70) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL13779288 0.81 MAPT (0.75) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL21010612 0.81 MAPT (0.68) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL10038665 0.78 MAPT (0.65) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL18873374 0.78 MAPT (0.61) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL1164671 0.77 MBD2 (0.65) MAPTRAB9AKMT2ANPC1GAA
SCHEMBL1164673 0.77 MBD2 (0.65) MAPTRAB9AKMT2ANPC1GAA

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
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 — — WO disclosed
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