SCHEMBL9565651

SCHEMBL9565651

Fc1ccc(-c2nc(S)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
TGFBR1 P36897 4/20 0.44
GRM5 P41594 3/20 0.44
MAPK14 Q16539 2/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 2/20 0.43
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL20018954 0.87 KDM4E (0.64) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL9565653 0.84 KDM4E (0.56) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL9565657 0.84 KDM4E (0.56) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL9565645 0.81 KDM4E (0.55) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL9565652 0.81 KDM4E (0.51) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL9565619 0.81 KDM4E (0.51) KDM4ETDP1LMNAL3MBTL1TGFBR1
SCHEMBL22043746 0.78 TP53 (0.67) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL5589973 0.77 KDM4E (0.78) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL4667110 0.77 KDM4E (0.78) KDM4ETDP1LMNAL3MBTL1ALOX15
SCHEMBL17932569 0.75 KDM4E (0.67) KDM4ETDP1LMNAL3MBTL1ALOX15

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