SCHEMBL24285873

SCHEMBL24285873

c1ccc(-c2nc3cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c4ccc5ccccc5c4c3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL24285640 0.94 ESR2 (0.44) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285632 0.94 ESR1 (0.43) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285872 0.93 ALDH1A1 (0.44) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285642 0.93 ESR1 (0.42) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285641 0.90 ESR1 (0.41) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285631 0.86 DHODH (0.42) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285550 0.86 ESR1 (0.45) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24285553 0.85 ESR1 (0.43) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24397702 0.85 DHODH (0.42) ESR1ESR2DHODHALDH1A1MAPT
SCHEMBL24397708 0.83 ESR1 (0.41) ESR1ESR2DHODHALDH1A1MAPT

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-20220077406-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-03-10 — — US disclosed
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