SCHEMBL22706188

SCHEMBL22706188

c1ccc(-c2c3ccccc3c(-c3c4cccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)c4cc4c(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cccc34)c3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL22706191 0.99 HSP90AA1 (0.33) HSP90AA1IDO1HSD17B10MAPK14KDM4E
SCHEMBL22707539 0.97 HSP90AA1 (0.32) HSP90AA1IDO1HSD17B10MAPK14KDM4E
SCHEMBL22706149 0.96 HSP90AA1 (0.32) HSP90AA1IDO1HSD17B10MAPK14
SCHEMBL22707928 0.95 MAPK14 (0.36) HSP90AA1IDO1HSD17B10MAPK14KDM4E
SCHEMBL22707879 0.94 KDM4E (0.32) HSP90AA1IDO1HSD17B10KDM4EMEN1
SCHEMBL22706638 0.91 HSD17B10 (0.34) HSP90AA1IDO1HSD17B10MAPK14KDM4E
SCHEMBL22706189 0.88 KDM4E (0.33) HSD17B10KDM4EMEN1ALDH1A1POLB
SCHEMBL22707155 0.88 ALDH1A1 (0.34) HSP90AA1IDO1HSD17B10KDM4EMEN1
SCHEMBL22707534 0.87 CES1 (0.41) HSP90AA1IDO1HSD17B10KDM4EMEN1
SCHEMBL22706192 0.86 KDM4E (0.34) HSD17B10KDM4EMEN1ALDH1A1POLB

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed