SCHEMBL9565653

SCHEMBL9565653

Cc1ccc(-c2nc(S)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
TDP1 Q9NUW8 3/20 0.56
TP53 P04637 4/20 0.56
PKM P14618 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
GRM5 P41594 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL12628228 0.92 KDM4E (0.67) KDM4ETDP1TP53PKMMEN1
SCHEMBL20018954 0.87 KDM4E (0.64) KDM4ETDP1TP53PKML3MBTL1
SCHEMBL9565657 0.84 KDM4E (0.56) KDM4ETDP1TP53PKML3MBTL1
SCHEMBL9565651 0.84 KDM4E (0.56) KDM4ETDP1TP53PKMMEN1
SCHEMBL17932777 0.83 MEN1 (0.58) KDM4ETDP1TP53PKMMEN1
SCHEMBL12628238 0.80 TP53 (0.58) KDM4ETDP1TP53PKMMEN1
SCHEMBL27256804 0.78 TP53 (0.67) KDM4ETDP1TP53PKMMEN1
SCHEMBL23609564 0.78 TP53 (0.52) KDM4ETDP1TP53PKMMEN1
SCHEMBL9958034 0.78 MEN1 (0.52) KDM4ETDP1TP53PKMMEN1
SCHEMBL18325244 0.78 TP53 (0.52) KDM4ETDP1TP53PKMMEN1

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-5240926-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP disclosed