SCHEMBL19622709

SCHEMBL19622709

C1=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)n2)=CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL27426999 0.89 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL27250153 0.85 GPR55 (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL24063867 0.84 MEN1 (0.37) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL20611893 0.83 ALDH1A1 (0.32) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL25677751 0.82 KDM4E (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL19009458 0.82 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL13262321 0.82 L3MBTL1 (0.44) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL26360651 0.82 MEN1 (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL20611415 0.82 HPGD (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL22544932 0.81 TSHR (0.31) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD

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-3246963-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-11-22 EP disclosed