SCHEMBL28046791

SCHEMBL28046791

[Sc].[c]1ccc(-n2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
ENPP2 Q13822 1/20 0.57
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
NOTUM Q6P988 1/20 0.57
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2A6 P11509 1/20 0.50
BAZ2B Q9UIF8 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP51A1 Q16850 1/20 0.47
ADH5 P11766 1/20 0.46
CYP19A1 P11511 3/20 0.46
CYP1A2 P05177 2/20 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
SCHEMBL161573 0.98 CYP3A4 (0.63) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL28046790 0.96 CYP3A4 (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27862724 0.96 CYP3A4 (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL28046718 0.96 CYP3A4 (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL11366419 0.86 LMNA (0.51) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2532397 0.82 LMNA (0.78) CYP3A4LMNAMAPTENPP2MKNK1
Hydrochloric Acid SCHEMBL28701756 0.80 LMNA (0.75) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL3250899 0.78 CYP3A4 (0.71) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL1009532 0.76 LMNA (0.58) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2533488 0.76 TSHR (0.84) CYP3A4LMNAMAPTENPP2MKNK1

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
CN-105126910-B A kind of C2Symmetry imidazolylphenyl rare-earth metal catalyst, preparation method and application 北京理工大学 2019-01-22 CN disclosed
CN-105126910-A C2-symmetric imidazolephenyl rare earth metal catalyst, preparation method and application BEIJING INST TECHNOLOGY 2015-12-09 CN disclosed