SCHEMBL31512623

SCHEMBL31512623

ON=Cc1ccc2c(c1)Oc1cc(C(F)(F)F)ccc1N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ CYBB P04839 1/20 0.33
▸ NOX3 Q9HBY0 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL31512642 1.00 ACE2 (0.38) ACE2ALDH1A1KDM4EL3MBTL1ALOX5
SCHEMBL31512628 0.95 ACE2 (0.44) ACE2ALDH1A1KDM4EL3MBTL1ALOX5
SCHEMBL18448706 0.82 ACE2 (0.45) ACE2ALOX5KMT2AKIF11CYBB
SCHEMBL31512645 0.81 ACE2 (0.40) ACE2ALDH1A1L3MBTL1ALOX5KIF11
SCHEMBL31512632 0.80 ALOX5 (0.53) ALDH1A1KDM4EL3MBTL1ALOX5MEN1
SCHEMBL31512606 0.78 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1ALOX5MEN1
SCHEMBL27344515 0.78 ACE2 (0.49) ACE2ALDH1A1L3MBTL1ALOX5KIF11
SCHEMBL31512648 0.78 ACE2 (0.49) ACE2ALDH1A1L3MBTL1ALOX5KIF11
SCHEMBL29636446 0.74 ALOX5 (0.59) ACE2ALOX5GAAMAPTKIF11
SCHEMBL18614108 0.74 ALOX5 (0.59) ACE2ALOX5GAAMAPTKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119866332-A Iron death inhibitor-phenoxazine acetamides 维泰瑞隆(北京)生物科技有限公司 2025-04-22 — — CN disclosed
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