SCHEMBL16670649

SCHEMBL16670649

COC(=O)c1ccc(C=NO)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
SETD7 Q8WTS6 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL12735076 0.80 SMN1; SMN2 (0.44) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2324097 0.80 HTT (0.55) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL28577903 0.79 HTT (0.53) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1530931 0.79 HTT (0.53) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11250516 0.78 HPGD (0.50) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL69791 0.77 HTT (0.69) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL21981938 0.75 HTT (0.67) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11403655 0.75 HTT (0.49) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11403659 0.75 HTT (0.49) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL20718445 0.74 ALDH1A1 (0.63) HTTMEN1KMT2ACYP1A2CYP2C19

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-9982094-B2 Compounds and methods for producing nylon 6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-05-29 US disclosed
US-20160304669-A1 COMPOUNDS AND METHODS FOR PRODUCING NYLON 6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2016-10-20 US disclosed
EP-3060597-A1 COMPOUNDS AND METHODS FOR PRODUCING NYLON 6 Empire Technology Development LLC (US) 2016-08-31 EP disclosed
WO-2015060829-A1 COMPOUNDS AND METHODS FOR PRODUCING NYLON 6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-04-30 WO disclosed