SCHEMBL10142595

SCHEMBL10142595

c1cnc(-c2cccc(-c3c[nH]nn3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALOX15 P16050 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
HTT P42858 2/20 0.44
ALPL P05186 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL17907394 0.87 KDM4E (0.39) KDM4EALOX15L3MBTL1TP53SMN1; SMN2
SCHEMBL30604624 0.81 KDM4E (0.34) KDM4ETP53
Hydrochloric Acid SCHEMBL18670804 0.81 KDM4E (0.34) KDM4ETP53
SCHEMBL28999623 0.77 KDM4E (0.32) KDM4ETP53
SCHEMBL503234 0.77 KDM4E (0.61) KDM4EALOX15L3MBTL1TP53SMN1; SMN2
SCHEMBL28999633 0.76 KDM4E (0.32) KDM4ETP53
SCHEMBL5612663 0.74 CCR1 (0.61) KDM4ECCR1CCR8ALDH1A1
SCHEMBL28352665 0.73 KDM4E (0.55) KDM4EALOX15L3MBTL1TP53SMN1; SMN2
SCHEMBL6164001 0.71 BTK (0.51) KDM4ECCR1CCR8
Pyridine SCHEMBL27602451 0.71 KDM4E (0.53) KDM4EALOX15L3MBTL1TP53SMN1; SMN2

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-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO disclosed