SCHEMBL8539002

SCHEMBL8539002

O=Cc1cccc(-c2ccccn2)n1.O=Cc1ccnc(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 3/20 0.50
ALOX15 P16050 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8538282 0.92 KDM4E (0.53) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL30400838 0.89 KDM4E (0.63) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL20400251 0.89 KDM4E (0.63) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL3165466 0.89 KDM4E (0.63) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL776048 0.78 KDM4E (0.67) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL8539424 0.78 FFAR1 (0.42) KDM4ETDP1MAPK1GRM5
SCHEMBL30132148 0.76 ALDH1A1 (0.50) KDM4ELMNAL3MBTL1TDP1CCR1
SCHEMBL12824407 0.76 KDM4E (0.71) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL29476108 0.76 CCR1 (0.48) KDM4ELMNATP53ALOX15L3MBTL1
SCHEMBL2151538 0.76 CCR1 (0.48) KDM4ELMNATP53ALOX15L3MBTL1

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
EP-0588146-B1 Substituted pyridin derivatives and parasiticides containing them BASF AG (DE) 1998-11-11 EP disclosed
EP-0588146-A2 Substituted pyridin derivatives and parasiticides containing them BASF Aktiengesellschaft (DE) 1994-03-23 EP disclosed