SCHEMBL4253696

SCHEMBL4253696

C(=N/CC/N=C/c1cccnc1)\c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
G6PC1 P35575 1/20 0.55
CYP11B2 P19099 2/20 0.55
CYP11B1 P15538 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ADORA2A P29274 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
CA2 P00918 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL4253702 1.00 ALDH1A1 (0.60) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL4253299 0.94 ALDH1A1 (0.67) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL4253302 0.94 ALDH1A1 (0.67) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL6587578 0.84 TAAR1 (0.59) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL7664431 0.84 ALDH1A1 (0.58) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL7664429 0.84 ALDH1A1 (0.58) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL4254637 0.82 G6PC1 (0.51) ALDH1A1G6PC1CYP11B2TAAR1MAPT
SCHEMBL4254642 0.82 G6PC1 (0.51) ALDH1A1G6PC1CYP11B2TAAR1MAPT
SCHEMBL7667155 0.82 G6PC1 (0.60) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1
SCHEMBL4900404 0.82 ALDH1A1 (0.56) ALDH1A1G6PC1CYP11B2CYP11B1TAAR1

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