SCHEMBL31199032

SCHEMBL31199032

Cc1cnc(-c2ccccn2)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
PDE10A Q9Y233 1/20 0.43
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL19961977 1.00 KDM4E (0.55) KDM4ENPC1LMNACCR1CCR5
SCHEMBL17570275 0.84 KDM4E (0.50) KDM4ENPC1LMNACCR1CCR5
SCHEMBL30535971 0.83 KDM4E (0.42) KDM4ENPC1LMNACCR1CCR5
SCHEMBL1662661 0.81 KDM4E (0.47) KDM4ENPC1LMNACCR1CCR5
SCHEMBL17636123 0.79 KDM4E (0.49) KDM4ENPC1LMNACCR1CCR5
SCHEMBL15173209 0.79 TGFBR1 (0.44) KDM4ENPC1LMNACCR1CCR5
SCHEMBL29419032 0.78 KDM4E (0.56) KDM4ENPC1LMNACCR1CCR5
SCHEMBL349543 0.78 KDM4E (0.56) KDM4ENPC1LMNACCR1CCR5
SCHEMBL31394998 0.77 KDM4E (0.47) KDM4ENPC1LMNACCR1CCR5
SCHEMBL8857926 0.77 KDM4E (0.55) KDM4ENPC1LMNACCR1CCR5

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
CN-118955569-A Organic electroluminescent material and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2024-11-15 CN disclosed