SCHEMBL26078072

SCHEMBL26078072

CC(C)(C)OC(=O)Cc1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccn5)c4)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTB4R Q15722 6/20 0.41
NR1H2 P55055 1/20 0.40
WNT3A P56704 3/20 0.39
MEN1 O00255 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
MCL1 Q07820 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SYK P43405 1/20 0.38
DHODH Q02127 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
SCHEMBL23011276 0.97 LMNA (0.42) LMNASMN1; SMN2NR1H2WNT3AMEN1
SCHEMBL10052084 0.80 KDM4E (0.50) LMNASMN1; SMN2LTB4RWNT3AMEN1
SCHEMBL22927121 0.78 CYP17A1 (0.49) KDM4E
SCHEMBL22927126 0.78 CYP17A1 (0.49) KDM4E
SCHEMBL12925667 0.76 CCR1 (0.55) LMNASMN1; SMN2MEN1KMT2AMCL1
SCHEMBL14297287 0.76 CCR1 (0.55) LMNASMN1; SMN2MEN1KMT2AMCL1
Nitrogen SCHEMBL28021587 0.74 GAA (0.53) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12956832 0.74 KDM4E (0.61) LMNASMN1; SMN2MEN1KMT2AADORA3
SCHEMBL19275985 0.74 KDM4E (0.61) LMNASMN1; SMN2MEN1KMT2AADORA3
SCHEMBL14489448 0.74 CCR1 (0.56) LMNASMN1; SMN2MEN1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778570-B1 STRONGLY-POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM UNIV BEIJING (CN) 2023-10-04 EP disclosed