SCHEMBL28296225

SCHEMBL28296225

O=Cc1cc(-c2ccncc2)cc(-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ERN1 O75460 2/20 0.48
CYP17A1 P05093 2/20 0.47
CYP21A2 P08686 2/20 0.47
CYP11B1 P15538 2/20 0.47
NOTUM Q6P988 1/20 0.42
QDPR P09417 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
KIF11 P52732 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
AURKA O14965 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29163629 0.95 MAPT (0.50) MAPTLMNAERN1CYP17A1CYP21A2
SCHEMBL17923012 0.86 CYP17A1 (0.67) MAPTLMNAERN1CYP17A1CYP21A2
SCHEMBL3511526 0.82 KIF11 (0.53) MAPTLMNAERN1CYP17A1CYP21A2
SCHEMBL4732067 0.82 CYP1A2 (0.53) MAPTERN1CYP17A1SMN1; SMN2KDM4E
SCHEMBL279908 0.81 MAPT (0.55) MAPTLMNAERN1CYP17A1CYP21A2
SCHEMBL302530 0.81 TRIM24 (0.56) MAPTLMNAERN1CYP17A1CYP11B1
SCHEMBL29534997 0.81 TRIM24 (0.56) MAPTLMNAERN1CYP17A1CYP11B1
SCHEMBL12068482 0.80 MAPT (0.79) MAPTLMNACYP17A1CYP21A2CYP11B1
SCHEMBL14426233 0.80 MAPT (0.79) MAPTLMNACYP17A1CYP21A2CYP11B1
SCHEMBL13915993 0.80 MAPT (0.79) MAPTLMNACYP17A1CYP21A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111621027-B Preparation method and application of cationic porous material 华南师范大学 2022-04-19 CN claimed
CN-109776534-A Ratio sensing type zinc ion fluorescent and its preparation method and application 山东理工大学 2019-05-21 CN claimed
CN-111621027-B Preparation method and application of cationic porous material 华南师范大学 2022-04-19 CN disclosed
CN-109776534-A Ratio sensing type zinc ion fluorescent and its preparation method and application 山东理工大学 2019-05-21 CN disclosed
CN-109776534-A Ratio sensing type zinc ion fluorescent and its preparation method and application 山东理工大学 2019-05-21 CN disclosed