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SCHEMBL25660293

SCHEMBL25660293

N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4cc(-c5ccc(C(F)(F)F)cc5C#N)cc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cc(-n9c%10ccccc%10c%10ccccc%109)ccc7n8-c7cc(-c8ccc(C(F)(F)F)cc8C#N)cc(-n8c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)c7C#N)cc6c6ccc(-c7ccccc7)cc65)c4C#N)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ XDH P47989 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AR P10275 2/20 0.31
▸ PPARG P37231 2/20 0.30
▸ PPARA Q07869 2/20 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
SCHEMBL26777534 0.94 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL26777546 0.94 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL26777532 0.92 ALOX5AP (0.37) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660252 0.92 ALOX5AP (0.37) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660295 0.91 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660294 0.91 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660253 0.90 KIF11 (0.38) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL26777536 0.90 KIF11 (0.38) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660555 0.88 KIF11 (0.40) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660553 0.88 KIF11 (0.40) ALOX5APFEN1ALDH1A1SMN1; SMN2MAPT

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
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 — — EP disclosed