SCHEMBL6076720

SCHEMBL6076720

CCCn1c(=O)c2ccc(c1=O)c1c3ccc(c(=O)n(CCC)c3=O)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDE4A P27815 4/20 0.42
ADORA2A P29274 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PGR P06401 2/20 0.42
ADORA2B P29275 2/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3111548 0.87 TDP1 (0.69) TDP1L3MBTL1PDE4AADORA2APDE4B
SCHEMBL6075628 0.85 TDP1 (0.61) TDP1L3MBTL1PGRADORA2BRORA
SCHEMBL6075749 0.84 TDP1 (0.59) TDP1L3MBTL1PGRADORA2BRORA
SCHEMBL15057066 0.84 TDP1 (0.59) TDP1L3MBTL1PGRADORA2BRORA
SCHEMBL12971677 0.81 ALDH1A1 (0.59) TDP1L3MBTL1PDE4AADORA2APDE4B
SCHEMBL23348857 0.78 L3MBTL1 (0.40) TDP1L3MBTL1PDE4AADORA2APDE4B
SCHEMBL862542 0.76 ALDH1A1 (0.53) TDP1L3MBTL1PDE4AADORA2APDE4B
SCHEMBL19052077 0.74 TDP1 (0.49) TDP1L3MBTL1PGRADORA2BRORA
SCHEMBL19052083 0.74 TDP1 (0.49) TDP1L3MBTL1PGRADORA2BRORA
SCHEMBL17878212 0.74 TDP1 (0.63) TDP1L3MBTL1PDE4AADORA2APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040151996-A1 Photoconductive members XEROX CORPORATION 2004-08-05 US claimed
US-7037630-B2 Photoconductive members XEROX CORPORATION (US) 2006-05-02 US disclosed
US-20040151996-A1 Photoconductive members XEROX CORPORATION 2004-08-05 US disclosed