SCHEMBL27520393

SCHEMBL27520393

O=CC1C=CC(c2ccccn2)=CN1c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
LMNA P02545 3/20 0.34
CCR1 P32246 3/20 0.34
CCR5 P51681 3/20 0.34
CCR8 P51685 3/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EP300 Q09472 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL27502491 0.86 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29290942 0.81 SMN1; SMN2 (0.41) KDM4EPOLBSMN1; SMN2EP300KAT2B
SCHEMBL27522973 0.81 POLB (0.35) KDM4EPOLBSMN1; SMN2EP300KAT2B
SCHEMBL29290945 0.81 POLB (0.35) KDM4EPOLBSMN1; SMN2EP300KAT2B
SCHEMBL29290951 0.77 POLB (0.35) KDM4EPOLBSMN1; SMN2EP300KAT2B
SCHEMBL27520403 0.74 KDM4E (0.33) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27504274 0.73 POLB (0.37) KDM4EPOLBCYP1A2SMN1; SMN2EP300
SCHEMBL29290947 0.67 SMN1; SMN2 (0.41) KDM4EPOLBCYP1A2SMN1; SMN2EP300
SCHEMBL27521874 0.66 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL31630557 0.59 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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
CN-1245386-C 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2006-03-15 CN disclosed
CN-1436172-A 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2003-08-13 CN disclosed