SCHEMBL22913667

SCHEMBL22913667

c1ccc(-c2nc3ccccc3c3c2ccc2sc4c(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cccc4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NUDT1 P36639 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 4/20 0.31
HPGD P15428 4/20 0.31
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADORA2A P29274 1/20 0.30
GAA P10253 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
SCHEMBL22913679 0.95 MEN1 (0.31) HSD17B10MEN1POLBKMT2AALOX5
SCHEMBL22913238 0.95 MEN1 (0.31) HSD17B10MEN1POLBKMT2AALOX5
SCHEMBL22913692 0.86 KDM4E (0.31) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22914240 0.86 HSD17B10 (0.33) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22913436 0.85 MEN1 (0.32) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22913181 0.85 LIMK1 (0.33) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22913584 0.85 NUDT1 (0.36) MEN1KMT2ANUDT1KDM4EHPGD
SCHEMBL22913805 0.84 HSD17B10 (0.33) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22913943 0.83 GSR (0.33) HSD17B10MEN1POLBKMT2ANUDT1
SCHEMBL22913986 0.82 ALOX5 (0.37) MEN1KMT2ANUDT1KDM4EALOX5

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
WO-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 WO disclosed