SCHEMBL11524926

SCHEMBL11524926

O=C(NO)c1cccc(I)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
EGLN2 Q96KS0 1/20 0.62
HDAC8 Q9BY41 7/20 0.60
HDAC6 Q9UBN7 6/20 0.60
HDAC1 Q13547 5/20 0.60
HDAC2 Q92769 4/20 0.56
HDAC3 O15379 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
GRM5 P41594 1/20 0.53
F2 P00734 1/20 0.51
MTOR P42345 3/20 0.50
TP53BP1 Q12888 1/20 0.50

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
SCHEMBL11791484 0.84 HDAC8 (0.79) KDM4EEGLN2HDAC8HDAC6HDAC1
SCHEMBL2290042 0.82 HDAC8 (0.63) KDM4EHDAC8HDAC6HDAC1HDAC2
SCHEMBL2293623 0.82 ALDH1A1 (0.63) KDM4EHDAC1HDAC2GRM5F2
SCHEMBL6969984 0.82 HDAC1 (0.51) KDM4EEGLN2HDAC8HDAC6HDAC1
SCHEMBL22097515 0.80 HDAC1 (0.50) HDAC8HDAC6HDAC1HDAC2GRM5
SCHEMBL3673898 0.79 KCNK3 (0.61) HDAC8HDAC6HDAC1HDAC2GRM5
SCHEMBL1926964 0.79 MTOR (0.52) KDM4EHDAC8HDAC6HDAC1HDAC2
Methane SCHEMBL14879758 0.78 CA12 (0.56) KDM4ECA12CA1ALOX15CA9
SCHEMBL3673834 0.78 ATM (0.58) HDAC1HDAC2GRM5F2MTOR
SCHEMBL18079795 0.78 CES2 (0.54) HDAC1HDAC2GRM5F2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9538759-B2 Chemical compositions and methodology to enhance plant growth and development MCDANIEL ROBERT GENE (US) 2017-01-10 US claimed
US-20150038330-A1 Chemical Compositions and Methodology to Enhance Plant Growth and Development MCDANIEL ROBERT GENE (US) 2015-02-05 US claimed
US-9538759-B2 Chemical compositions and methodology to enhance plant growth and development MCDANIEL ROBERT GENE (US) 2017-01-10 US disclosed
US-4136198-A METHOD FOR THE CONTROL OF TRYPANOSOMIASIS THE ROCKEFELLER UNIVERSITY (US) 1979-01-23 US disclosed
US-4136198-A METHOD FOR THE CONTROL OF TRYPANOSOMIASIS THE ROCKEFELLER UNIVERSITY (US) 1979-01-23 US disclosed