SCHEMBL4872036

SCHEMBL4872036

CCn1ccnc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
KCNH2 Q12809 11/20 0.40
KDM4E B2RXH2 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL763110 0.77 CCNE1 (0.42) KCNH2KDM4ECCNE1CDK2MEN1
SCHEMBL12903263 0.76 CCNE1 (0.46) CCNE1CDK2MEN1ALDH1A1KMT2A
SCHEMBL27757638 0.73 KCNH2 (0.48) KCNH2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL17282909 0.73 NISCH (0.60) NISCHMEN1ALDH1A1KMT2A
SCHEMBL25181514 0.72 NISCH (0.40) NISCHMEN1ALDH1A1KMT2A
SCHEMBL28019128 0.71 HRH3 (0.42) KCNH2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2146301 0.70 LMNA (0.38) KDM4ECCNE1CDK2ALDH1A1KMT2A
SCHEMBL22940000 0.70 LMNA (0.38) KDM4ECCNE1CDK2ALDH1A1KMT2A
SCHEMBL18805136 0.70 PLAT (0.41) KCNH2CDK2MEN1ALDH1A1KMT2A
SCHEMBL27217166 0.69 CCNE1 (0.41) KCNH2CCNE1CDK2MEN1ALDH1A1

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 3 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 claimed
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