SCHEMBL21676085

SCHEMBL21676085

c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5c4ccc4c6ccc7ccccc7c6n(-c6cccc7ccccc67)c45)cc-2c13

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL21676131 0.93 ANPEP (0.36) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676180 0.91 ALDH1A1 (0.33) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676148 0.90 ANPEP (0.35) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL18619331 0.88 L3MBTL1 (0.30) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL21676086 0.86 PDE6D (0.33) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19202958 0.86 ALDH1A1 (0.42) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676036 0.85 L3MBTL1 (0.38) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676069 0.85 L3MBTL1 (0.38) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676067 0.85 PDE10A (0.32) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676080 0.85 TDP1 (0.35) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed