SCHEMBL28185044

SCHEMBL28185044

CC(C)(C)c1ccc(-c2ccc3ccc4ncccc4c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TRPV1 Q8NER1 3/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
KIF11 P52732 2/20 0.42
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 2/20 0.39
KDR P35968 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TOP1 P11387 1/20 0.37
TDO2 P48775 1/20 0.37
GLO1 Q04760 1/20 0.37

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
SCHEMBL14278920 0.88 LMNA (0.50) LMNATRPV1CYP3A4KDM4EALDH1A1
SCHEMBL17994292 0.82 CCR1 (0.50) LMNATRPV1KMT2AKIF11CYP3A4
SCHEMBL669488 0.82 LMNA (0.61) LMNAKMT2AMEN1CYP3A4KDM4E
SCHEMBL28618007 0.81 LMNA (0.56) LMNAKMT2AMEN1CYP3A4KDM4E
SCHEMBL27820373 0.80 LMNA (0.57) LMNAKMT2AMEN1CYP3A4KDM4E
Pyrazine SCHEMBL28948452 0.78 LMNA (0.56) LMNACYP3A4KDM4EALDH1A1MAPT
SCHEMBL10032364 0.78 KIF11 (0.47) LMNAKIF11KDM4EALDH1A1MAPT
SCHEMBL14900763 0.78 LMNA (0.59) LMNAKMT2AMEN1CYP3A4KDM4E
SCHEMBL29120745 0.77 LMNA (0.50) LMNATRPV1KMT2AMEN1CYP3A4
SCHEMBL10032368 0.77 CCR4 (0.41) KMT2AMEN1KIF11KDM4EMAPT

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
CN-107266679-A Conjugated polymer, organic electroluminescent element material, composition for organic electroluminescent element, and organic electroluminescent element 三菱化学株式会社 2017-10-20 CN disclosed