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SCHEMBL21676074

SCHEMBL21676074

c1cc2c(c(-n3c4ccccc4c4c3ccc3c5ccc6ccccc6c5n(-c5ccc6ccccc6c5)c34)c1)-c1cccc3cccc-2c13

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 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
SCHEMBL21676139 0.93 ALDH1A1 (0.31) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL21676062 0.90 ATM (0.34) ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676072 0.89 PDE6D (0.34) —
SCHEMBL21676071 0.89 PDE6D (0.40) —
SCHEMBL21676073 0.88 TDP1 (0.35) ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676152 0.87 ALDH1A1 (0.36) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL21676077 0.86 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL21676128 0.85 TDP1 (0.35) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL21676167 0.83 ALDH1A1 (0.36) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL21676125 0.83 KDM4E (0.33) —

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