SCHEMBL4249480

SCHEMBL4249480

Cn1ccc(C=NCCN=Cc2ccn(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL21670878 0.88 CYP19A1 (0.40) KMT2AHDAC1HDAC2KDM4EALDH1A1
SCHEMBL17499463 0.70 KMT2A (0.30) KMT2AHDAC1HDAC2ALDH1A1HTT
SCHEMBL370944 0.70
SCHEMBL21670863 0.68 ALDH1A1 (0.35) KMT2AALDH1A1HTTNPC1MAPT
SCHEMBL22714847 0.68 GPR3 (0.31) KMT2A
SCHEMBL31041342 0.68 GPR3 (0.31) KMT2A
SCHEMBL31041571 0.68 HDAC1 (0.32) KMT2AHDAC1HDAC2POLBKDM4E
SCHEMBL22708167 0.68
SCHEMBL4255593 0.68 RAB9A (0.31) RAB9A
SCHEMBL21670371 0.66 KMT2A (0.32) KMT2AHDAC1HDAC2LMNACA2

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 4 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-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