SCHEMBL24397702

SCHEMBL24397702

c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6c5ccc5nc(-c7ccccc7)oc56)c5ccccc45)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.42
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SOS1 Q07889 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24285631 0.93 DHODH (0.42) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL23266854 0.91 DHODH (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL23266804 0.90 DHODH (0.41) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24285632 0.89 ESR1 (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24285872 0.89 ALDH1A1 (0.44) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24285550 0.89 ESR1 (0.45) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24397708 0.88 ESR1 (0.41) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24285553 0.87 ESR1 (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL23266853 0.87 DHODH (0.43) DHODHESR1ESR2ALDH1A1MAPT
SCHEMBL24285554 0.85 ALDH1A1 (0.45) DHODHESR1ESR2ALDH1A1MAPT

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-20220140247-A1 PLURALITY OF HOST MATERIALS, COMPOSITION COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-05-05 — — US disclosed
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