SCHEMBL21676017

SCHEMBL21676017

c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5ccc6c(c7ccc8ccccc8c7n6-c6ccc7ccccc7c6)c54)cc-2c13

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 2/20 0.34
HIF1A Q16665 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.31
CASP7 P55210 1/20 0.31
DUSP3 P51452 1/20 0.30
ATM Q13315 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 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
SCHEMBL21676167 0.94 ALDH1A1 (0.36) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676132 0.91 ANPEP (0.34) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676064 0.91 ANPEP (0.34) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676174 0.91 ANPEP (0.34) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676179 0.90 PDE6D (0.33) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19203094 0.90 L3MBTL1 (0.36) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19202967 0.89 ALDH1A1 (0.41) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19203077 0.89 ANPEP (0.34) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676183 0.88 L3MBTL1 (0.36) ANPEPALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676152 0.88 ALDH1A1 (0.36) ANPEPALDH1A1TSHRMAPK1HSD17B10

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