SCHEMBL28344151

SCHEMBL28344151

O=C(NO)c1cc(O)c2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
KDM4E B2RXH2 2/20 0.50
NQO2 P16083 1/20 0.50
EGLN2 Q96KS0 1/20 0.50
HDAC8 Q9BY41 5/20 0.49
MMP3 P08254 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
CA9 Q16790 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL160412 0.84 PLK1 (0.50) HDAC6KDM4ENQO2HDAC8TRPM4
SCHEMBL5668127 0.84 MAPT (0.56) KDM4ENQO2CA1CA9TRPM4
SCHEMBL6230205 0.82 HDAC8 (0.49) HDAC6KDM4EEGLN2HDAC8MMP3
SCHEMBL11789948 0.81 TOP1 (0.54) HDAC6KDM4ENQO2HDAC8HDAC1
SCHEMBL162795 0.80 BRD4 (0.45) HDAC6KDM4ENQO2HDAC8HDAC3
SCHEMBL162356 0.80 IMPDH2 (0.47) NQO2TRPM4PTPN1TOP1TOP2A
SCHEMBL160993 0.80 ERN1 (0.46) KDM4ENQO2TRPM4SMN1; SMN2
SCHEMBL163553 0.79 PRMT1 (0.56) KDM4ENQO2CA12CA1CA9
SCHEMBL10695434 0.79 ALDH1A1 (0.57) HDAC6KDM4ENQO2HDAC8HDAC3
SCHEMBL10361604 0.79 ALDH1A1 (0.64) HDAC6KDM4EEGLN2HDAC8MMP3

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
CN-110653071-B Rare earth collecting agent and preparation method thereof 内蒙古包钢稀土林峰科技有限公司 2021-06-29 CN disclosed
CN-110653071-A Rare earth collecting agent and preparation method thereof 内蒙古包钢稀土林峰科技有限公司 2020-01-07 CN disclosed