SCHEMBL4870076

SCHEMBL4870076

c1cn(C2CCCC2)c(C2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
PI4KA P42356 3/20 0.34
PI4K2B Q8TCG2 3/20 0.34
PI4K2A Q9BTU6 3/20 0.34
PI4KB Q9UBF8 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
HCAR1 Q9BXC0 4/20 0.33

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
SCHEMBL22940000 0.98 LMNA (0.38) LMNACCNE1CDK2TP53THRB
SCHEMBL2146301 0.98 LMNA (0.38) LMNACCNE1CDK2TP53THRB
Hydrochloric Acid SCHEMBL16341570 0.96 LMNA (0.37) LMNACCNE1CDK2TP53THRB
SCHEMBL21577450 0.88 KCNH2 (0.34) LMNAADORA2AKCNH2HPSE
SCHEMBL27963399 0.77 LMNA (0.35) LMNATP53THRBPI4KAPI4K2B
SCHEMBL21577451 0.76 HPSE (0.32) KCNH2HPSE
SCHEMBL21733942 0.76 HPSE (0.32) KCNH2HPSE
SCHEMBL21577453 0.76 HPSE (0.32) KCNH2HPSE
SCHEMBL21577449 0.76 HPSE (0.32) KCNH2HPSE
SCHEMBL18250691 0.73 KDM4E (0.38) LMNATP53THRBPI4KAPI4K2B

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-7314701-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2008-01-01 US disclosed
US-20050095527-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-05 US disclosed