SCHEMBL16450577

SCHEMBL16450577

CNCc1c(OC)cc(C(=O)NC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
PLK1 P53350 2/20 0.50
LMNA P02545 1/20 0.49
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 1/20 0.42
HPGDS O60760 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALOX12 P18054 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL16450754 0.85 SMN1; SMN2 (0.52) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL20392776 0.84 CA12 (0.56) LMNAMAPK1NR1H4
SCHEMBL16450475 0.84 LMNA (0.56) ALDH1A1LMNAMEN1KMT2ARXFP1
SCHEMBL16491008 0.83 LMNA (0.57) ALDH1A1HPGDPLK1LMNAMEN1
SCHEMBL1004083 0.78 RXFP1 (0.68) ALDH1A1HPGDPLK1LMNAMEN1
SCHEMBL9903880 0.78 PKM (0.62) ALDH1A1HPGDPLK1LMNAMEN1
SCHEMBL4143482 0.78 ALDH1A1 (0.77) ALDH1A1HPGDPLK1LMNAMEN1
SCHEMBL31650388 0.77 ALDH1A1 (0.60) ALDH1A1HPGDPLK1LMNAMEN1
SCHEMBL3808045 0.76 CYP3A4 (0.50)
SCHEMBL20392703 0.75 LMNA (0.67) ALDH1A1HPGDPLK1LMNAMEN1

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
WO-2017087975-A9 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-07-19 WO disclosed
WO-2015021079-A1 PROTECTED FLUORESCENT REAGENT COMPOUNDS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-02-12 WO disclosed