SCHEMBL16077939

SCHEMBL16077939

C/C(=N\c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ncnc(/C(C)=N/c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 1/20 0.34

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
SCHEMBL5589300 0.88
SCHEMBL16077935 0.83 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL5586905 0.83 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL16077923 0.81 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL16077911 0.75 GABRA1 (0.36) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL5587675 0.75 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL19067888 0.75 GAA (0.30)
SCHEMBL16077920 0.74
Hydrochloric Acid SCHEMBL7176247 0.73 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7180516 0.73 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5

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-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
US-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed