SCHEMBL17264176

SCHEMBL17264176

CC(C)CN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CC(C)C)C3=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.39
ALDH1A1 P00352 10/20 0.36
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 8/20 0.34
NPC1 O15118 7/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL19833544 0.83 MEN1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL127891 0.81 CYP1B1 (0.56) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL128105 0.79 CYP1B1 (0.55) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL127231 0.78 CYP1B1 (0.50) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13096342 0.77 CYP1B1 (0.36) CYP1B1LMNASMN1; SMN2
SCHEMBL19821717 0.77 ALDH1A1 (0.38) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15715894 0.77 CYP1B1 (0.36) CYP1B1LMNASMN1; SMN2
SCHEMBL23618215 0.76 TERT (0.48) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17773466 0.76 ALDH1A1 (0.34) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17682034 0.74 CYP1B1 (0.50) CYP1B1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9941476-B2 Conductive organic semiconductor compound, method for preparing the same and organic thin-film transistor including the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-04-10 US disclosed
US-9644068-B2 Semiconducting materials based on naphthalenediimide-vinylene-oligothiophene-vinylene polymers BASF SE (DE) 2017-05-09 US disclosed
US-20160149137-A1 CONDUCTIVE ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PREPARING THE SAME AND ORGANIC THIN-FILM TRANSISTOR INCLUDING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-05-26 US disclosed
US-20150333264-A1 SEMICONDUCTING MATERIALS BASED ON NAPHTHALENEDIIMIDE-VINYLENE-OLIGOTHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2015-11-19 US disclosed