SCHEMBL29484648

SCHEMBL29484648

c1ccc(Nc2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 5/20 0.43
GAA P10253 4/20 0.43
GLA P06280 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL16985883 1.00 MEN1 (0.43) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL20871520 0.94 MAPT (0.49) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL20871527 0.91 MEN1 (0.42) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL15713967 0.91 MAPT (0.39) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL15250356 0.90 MEN1 (0.46) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL22000703 0.90 MAPT (0.43) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL25701205 0.90 MEN1 (0.41) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL17740521 0.89 SIRT2 (0.44) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL21665617 0.89 MEN1 (0.49) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL17854635 0.87 MEN1 (0.41) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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-114805090-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2022-07-29 CN disclosed
CN-110494430-B Novel compound and organic light-emitting element using same 株式会社LG化学 2022-05-27 CN disclosed
CN-114249744-A Light emitting device and polycyclic compound used therefor 三星显示有限公司 2022-03-29 CN disclosed