SCHEMBL9550826

SCHEMBL9550826

O=Cc1cc([N+](=O)[O-])cc(I)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
ERN1 O75460 8/20 0.59
GPR35 Q9HC97 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL12492120 0.87 ERN1 (0.69) MEN1KMT2AHTTLMNAERN1
SCHEMBL205059 0.82 MEN1 (1.00) MEN1KMT2AHTTLMNAERN1
SCHEMBL4756022 0.81 ERN1 (0.63) MEN1KMT2AHTTLMNAERN1
SCHEMBL12095462 0.81 MEN1 (0.95) MEN1KMT2AHTTLMNAERN1
SCHEMBL29441809 0.80 ERN1 (0.67) MEN1KMT2AERN1GPR35ALDH1A1
SCHEMBL831073 0.80 ERN1 (0.67) MEN1KMT2AERN1GPR35ALDH1A1
SCHEMBL1300813 0.79 ERN1 (0.59) MEN1KMT2AHTTLMNAERN1
SCHEMBL6152768 0.79 ERN1 (0.64) MEN1KMT2AHTTLMNAERN1
SCHEMBL8169950 0.79 ERN1 (0.59) MEN1KMT2AHTTLMNAERN1
SCHEMBL1301289 0.79 GPR35 (0.61) MEN1KMT2AHTTLMNAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440029-A 5-(1,2,4-Triazol-1-yl)-2-benzylaminothiazole derivatives and application thereof as antitumor drug UNIV HUNAN 2016-03-30 CN disclosed
CN-104557901-A 5-(1,2,4-triazole-1-yl)-2-benzylamino thiazole derivative and application thereof as bactericide HUNAN RES INST OF CHEMICAL INDUSTRY CO LTD 2015-04-29 CN disclosed
US-5230986-A Photohardening compositions with free radical polymerizable compounds STEREOGRAPHICS LIMITED PARTNERSHIP (US) 1993-07-27 US disclosed