SCHEMBL4256790

SCHEMBL4256790

CC(=NCCN=C(C)c1ncn[nH]1)c1ncn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 3/20 0.36
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL4256484 0.68 NPC1 (0.40) SMN1; SMN2RAB9AKMT2A
SCHEMBL21632736 0.61 L3MBTL1 (0.42) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G
SCHEMBL22372238 0.60 L3MBTL1 (0.40) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G
SCHEMBL4685169 0.60
SCHEMBL9252055 0.59 KDM4E (0.42) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G
SCHEMBL22372303 0.58 CYP1A2 (0.39) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G
SCHEMBL22372125 0.58 TSHR (0.46) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G
SCHEMBL22372070 0.57 APOBEC3A (0.68) CYP1A2CYP2C19APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL21171404 0.57
SCHEMBL22372172 0.57 CYP1A2 (0.44) CYP1A2CYP2C19CYP3A4APOBEC3AAPOBEC3G

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