SCHEMBL22606004

SCHEMBL22606004

CC(C)CN1C(=O)c2ccc3c4ncc5c6c(ccc(c7ncc(c2c37)C1=O)c64)C(=O)N(CC(C)C)C5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL22605891 0.85 ALDH1A1 (0.33) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL20964323 0.81 MEN1 (0.44) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL13260396 0.81 TERT (0.57) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL22746164 0.79 KDM4E (0.48) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL20964322 0.78 STAT3 (0.47) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL20964368 0.75 ALDH1A1 (0.55) TERTALDH1A1RAB9ANPC1MEN1
SCHEMBL24603666 0.75 ALDH1A1 (0.51) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL22605887 0.73 MEN1 (0.51) TERTALDH1A1RAB9ANPC1STAT3
SCHEMBL24603782 0.73 CYP1B1 (0.56) ALDH1A1RAB9ANPC1STAT3HIF1A
SCHEMBL24704063 0.72 ALDH1A1 (0.55) TERTALDH1A1RAB9ANPC1STAT3

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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