SCHEMBL28568972

SCHEMBL28568972

O=C(/C=C/c1cc2ccccc2o1)NC(Cc1ccccc1)Cn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP19A1 P11511 2/20 0.42
CYP24A1 Q07973 1/20 0.41
TBXAS1 P24557 2/20 0.40
AGTR2 P50052 1/20 0.40
HDAC1 Q13547 1/20 0.40
PADI4 Q9UM07 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30566318 1.00 NAMPT (0.47) NAMPTKDM4ELMNATHRBCYP19A1
SCHEMBL28574449 0.85 NAMPT (0.46) NAMPTKDM4ELMNATHRBCYP19A1
SCHEMBL28571346 0.82 TBXAS1 (0.47) LMNATBXAS1AGTR2HDAC1PADI4
SCHEMBL28569168 0.80 HDAC8 (0.45) KDM4ECYP19A1TBXAS1AGTR2PADI4
SCHEMBL30566323 0.80 CYP19A1 (0.42) CYP19A1TBXAS1AGTR2HDAC1PADI4
SCHEMBL28557217 0.80 CYP19A1 (0.42) CYP19A1TBXAS1AGTR2HDAC1PADI4
SCHEMBL28559267 0.80 HDAC6 (0.47) KDM4ELMNACYP19A1AGTR2HDAC1
SCHEMBL28572004 0.77 TRPV1 (0.46) KDM4ELMNATBXAS1HDAC1NPC1
SCHEMBL28433865 0.75 ALDH1A1 (0.51) LMNACYP19A1TBXAS1MEN1KMT2A
SCHEMBL28433866 0.75 ALDH1A1 (0.51) LMNACYP19A1TBXAS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142673-A Arylalkenole derivative and preparation method and application thereof 聊城大学 2020-12-29 CN claimed
CN-112142673-B Aryl alkene azole derivative and preparation method and application thereof 聊城大学 2023-06-30 CN disclosed
CN-112142673-A Arylalkenole derivative and preparation method and application thereof 聊城大学 2020-12-29 CN disclosed