SCHEMBL18504787

SCHEMBL18504787

O=C(NO)c1cccc(Cl)c1COc1ccn(O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SGMS2 Q8NHU3 2/20 0.39
NR1H4 Q96RI1 2/20 0.36
HDAC11 Q96DB2 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PDE5A O76074 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL18505005 0.91 SGMS2 (0.39) HDAC3HDAC1HDAC2HDAC6SGMS2
SCHEMBL18504406 0.91 SGMS2 (0.39) HDAC3HDAC1HDAC2HDAC6SGMS2
SCHEMBL22564176 0.87 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6SGMS2
SCHEMBL18504583 0.87 ALDH1A1 (0.33) TDP1PDE5AKDM4EALDH1A1KMT2A
SCHEMBL18504615 0.86 NR1H4 (0.43) SGMS2NR1H4TDP1ALDH1A1HTT
SCHEMBL18504704 0.86 NR1H4 (0.37) SGMS2NR1H4ITGB1ITGA4TDP1
SCHEMBL18504821 0.86 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6SGMS2
SCHEMBL18504649 0.86 TDP1 (0.41) NR1H4TDP1POLBKDM4EALDH1A1
SCHEMBL18504646 0.86 PDE5A (0.35) HDAC3HDAC1HDAC2HDAC6PDE5A
SCHEMBL18504865 0.86 HDAC1 (0.36) HDAC1HDAC6SGMS2TDP1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed