SCHEMBL28048870

SCHEMBL28048870

Nc1ccc2c(c1)Sc1ccc(N)c(-c3cccc4ccccc34)c1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
DHFR P00374 1/20 0.36
BLM P54132 1/20 0.35
CYP3A4 P08684 3/20 0.34
KEAP1 Q14145 2/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.34
HPRT1 P00492 1/20 0.33
PRKCZ Q05513 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALOX15 P16050 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32

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
SCHEMBL28825592 0.81 PLA2G7 (0.38) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL28265223 0.77 KMT2A (0.36) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL788001 0.73 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL28405771 0.72 MEN1 (0.41) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL94483 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL28048698 0.70 MEN1 (0.37) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28048807 0.70 ACHE (0.34) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL29418125 0.69 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL4915508 0.69 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL22561858 0.69 MEN1 (0.55) ALDH1A1HSD17B10HPGDMAPTMEN1

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-105189475-A Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LTD 2015-12-23 CN claimed