SCHEMBL22605891

SCHEMBL22605891

CC(C)CN1C(=O)c2ccc3c4ncc5c6c(ccc(c7ncc(c2c37)C1=O)c64)C(=O)N(CC(C)C)C5O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.33
▸ RAB9A P51151 6/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TERT O14746 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL22606004 0.85 TERT (0.40) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL24017161 0.76 MEN1 (0.38) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL20964369 0.73 CYP1B1 (0.45) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL22746164 0.69 KDM4E (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL20964323 0.69 MEN1 (0.44) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL24604086 0.69 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL13260396 0.69 TERT (0.57) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL20964322 0.66 STAT3 (0.47) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL4468989 0.66 HPGD (0.55) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL6234847 0.66 HPGD (0.55) ALDH1A1RAB9ANPC1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11011706-B2 Organic semiconductor element, organic semiconductor composition, organic semiconductor film, method of manufacturing organic semiconductor film, and polymer using the same FUJIFILM CORPORATION (JP) 2021-05-18 — — US disclosed
US-20200343451-A1 ORGANIC SEMICONDUCTOR ELEMENT, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM, AND POLYMER USING THE SAME FUJIFILM CORPORATION (JP) 2020-10-29 — — US disclosed
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