SCHEMBL4257693

SCHEMBL4257693

C(=NC1CCCCC1N=Cc1cccnc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP11B2 P19099 3/20 0.43
LMNA P02545 3/20 0.43
CYP11B1 P15538 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
G6PC1 P35575 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.41

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
SCHEMBL4257688 1.00 ALDH1A1 (0.56) ALDH1A1NPSR1TSHRKMT2AL3MBTL1
SCHEMBL25030388 0.83 ALDH1A1 (0.56) ALDH1A1NPSR1TSHRKMT2ACYP11B2
SCHEMBL30586311 0.82 ALDH1A1 (0.60) ALDH1A1NPSR1TSHRKMT2AL3MBTL1
SCHEMBL4799502 0.82 ALDH1A1 (0.60) ALDH1A1NPSR1TSHRKMT2AL3MBTL1
SCHEMBL22076976 0.82 ALDH1A1 (0.60) ALDH1A1NPSR1TSHRKMT2AL3MBTL1
SCHEMBL22076977 0.82 ALDH1A1 (0.60) ALDH1A1NPSR1TSHRKMT2AL3MBTL1
SCHEMBL4257218 0.78 L3MBTL1 (0.44) KMT2AL3MBTL1CYP11B2LMNACYP19A1
SCHEMBL4257215 0.78 L3MBTL1 (0.44) KMT2AL3MBTL1CYP11B2LMNACYP19A1
SCHEMBL13957726 0.77 L3MBTL1 (0.56) KMT2AL3MBTL1LMNAHPGDMAPT
SCHEMBL2680934 0.77 L3MBTL1 (0.56) KMT2AL3MBTL1LMNAHPGDMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed