SCHEMBL9565639

SCHEMBL9565639

C=CCSc1cnnnc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 2/20 0.35

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
SCHEMBL11575115 0.77 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9986851 0.76 KDM4E (0.44) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27690425 0.74 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9565644 0.71 CYP1A2 (0.33) L3MBTL1SMN1; SMN2ALDH1A1PKMCYP1A2
SCHEMBL254265 0.70 KDM4E (0.49) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3616832 0.70 KDM4E (0.46) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7898939 0.68 KDM4E (0.45) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9565611 0.68 TP53 (0.48) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9279976 0.68 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30440591 0.66 KDM4E (0.62) L3MBTL1SMN1; SMN2KDM4ENPC1RAB9A

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-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP claimed
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