SCHEMBL28094325

SCHEMBL28094325

O=S(=O)(O)c1ccc2cccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALOX12 P18054 1/20 0.43
▸ CYP3A4 P08684 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 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
SCHEMBL28520490 0.82 TSHR (0.33) KDM4ELMNAALDH1A1TDP1MAPT
SCHEMBL516881 0.81 ALDH1A1 (0.49) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL11875422 0.81 ALDH1A1 (0.49) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL8645713 0.80 KDM4E (0.59) KDM4ELMNAALDH1A1TDP1MAPT
Quinoline SCHEMBL28320577 0.76 ALDH1A1 (0.55) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL9839797 0.75 LMNA (0.57) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL27372062 0.73 KDM4E (0.42) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL8811771 0.73 KDM4E (0.55) KDM4ELMNAMEN1KMT2AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL3176306 0.72 KDM4E (0.49) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL546320 0.71 MGAM (0.47) KDM4ELMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 — — CN disclosed
CN-112105419-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-18 — — CN disclosed
CN-107614498-A Diaza benzofluoranthrene class compound 哈药集团制药总厂 2018-01-19 — — CN disclosed
CN-105985333-A Diaza-benzofluoranthene type compounds 哈药集团技术中心 2016-10-05 — — CN disclosed
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