SCHEMBL8086098

SCHEMBL8086098

CCOc1ccc(Nc2cc(OCC)c([N+]#N)cc2OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
EHMT2 Q96KQ7 1/20 0.43
MAPT P10636 4/20 0.42
NFKB1 P19838 1/20 0.41
SLC2A1 P11166 1/20 0.41
NQO1 P15559 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 1/20 0.40
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Hydrochloric Acid SCHEMBL9165477 0.87 KMT2A (0.43) KDM4EALDH1A1HPGDHTTMAPT
Trifluoromethanesulfonic Acid SCHEMBL11085448 0.78 PTPN1 (0.40) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL14588712 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTNQO1
SCHEMBL11230396 0.75 NQO1 (0.46) KDM4EALDH1A1HPGDMAPTNQO1
SCHEMBL8974916 0.75 NQO1 (0.44) KDM4EALDH1A1HPGDMAPTNQO1
Hydrochloric Acid SCHEMBL3805858 0.74 NQO1 (0.42) KDM4EALDH1A1HPGDMAPTNQO1
Hydrochloric Acid SCHEMBL9138523 0.73 NQO1 (0.45) KDM4EALDH1A1HPGDMAPTNQO1
SCHEMBL6536639 0.73 MAPT (0.45) KDM4EALDH1A1HTTMAPTKMT2A
SCHEMBL8087668 0.73 TSHR (0.52) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL13706522 0.72 MAPT (0.43) KDM4EALDH1A1HPGDMAPTSLC2A1

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
EP-0679635-B1 Aromatic diazonium salts and their use in radiation-sensitive compositions AGFA GEVAERT NV (BE) 2000-09-27 EP disclosed
US-5776652-A Aromatic hexafluoropropanesulfonate diazonium salts and their use in radiation-sensitive mixtures AGFA-GEVAERT AG (DE) 1998-07-07 US disclosed
EP-0679635-A1 Aromatic diazonium salts and their use in radiation-sensitive compositions HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-02 EP disclosed