SCHEMBL9565619

SCHEMBL9565619

COc1nc(-c2ccc(F)cc2)nc(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
SQOR Q9Y6N5 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
PPP1CA P62136 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.49
FFAR1 O14842 4/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
HSP90AA1 P07900 1/20 0.46
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CNR2 P34972 2/20 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
SCHEMBL19221576 0.83 NPC1 (0.48) KDM4ETDP1L3MBTL1SMN1; SMN2MEN1
SCHEMBL25333149 0.83 CNR2 (0.50) NPC1RAB9ACNR2
SCHEMBL9565651 0.81 KDM4E (0.56) KDM4ETDP1L3MBTL1SQORSMN1; SMN2
SCHEMBL9565652 0.80 KDM4E (0.51) KDM4ETDP1L3MBTL1SQORSMN1; SMN2
SCHEMBL20640073 0.79 CNR2 (0.50) NPC1RAB9ACNR2
SCHEMBL9487590 0.79 GAA (0.61) KDM4ETDP1L3MBTL1SQORSMN1; SMN2
SCHEMBL9565645 0.77 KDM4E (0.55) KDM4ETDP1L3MBTL1SQORSMN1; SMN2
SCHEMBL11187319 0.76 KDM4E (0.53) KDM4ETDP1L3MBTL1SMN1; SMN2MEN1
SCHEMBL12628228 0.75 KDM4E (0.67) KDM4ETDP1L3MBTL1SMN1; SMN2MEN1
SCHEMBL22043746 0.75 TP53 (0.67) KDM4ETDP1L3MBTL1SMN1; SMN2ALDH1A1

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