SCHEMBL16649288

SCHEMBL16649288

Cc1ccnc(-c2c(-c3cc(C)ccn3)c3c(-c4cc(C)ccn4)c4nc(cc5ccc(cc6nc(cc2n3-c2cc(C)ccn2)C=C6)[nH]5)C=C4)c1.[Zn]

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL6537531 0.99 STAT3 (0.32) STAT3STAT1CCR1CCR5CCR8
SCHEMBL16268025 0.98 STAT3 (0.32) STAT3STAT1CCR1CCR5CCR8
SCHEMBL6764274 0.84 STAT3 (0.37) STAT3STAT1SMN1; SMN2LMNA
SCHEMBL28247729 0.83 STAT3 (0.37) STAT3STAT1
SCHEMBL28752550 0.83 STAT3 (0.37) STAT3STAT1
SCHEMBL3261540 0.82 STAT3 (0.38) STAT3STAT1SMN1; SMN2LMNA
SCHEMBL7571349 0.82 STAT3 (0.37) STAT3STAT1SMN1; SMN2LMNA
SCHEMBL5796219 0.82 STAT3 (0.37) STAT3STAT1SMN1; SMN2LMNA
SCHEMBL28584534 0.82 STAT3 (0.37) STAT3STAT1SMN1; SMN2LMNA
SCHEMBL28399602 0.82 STAT3 (0.37) STAT3STAT1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862936-B1 OXIDOREDUCTASE REACTION CONTROL USING AMINO SUBSTITUTED BIPYRIDINIUM COMPOUNDS AMANO ENZYME INC (JP) 2021-12-22 — — EP claimed
US-20150176037-A1 OXIDOREDUCTASE REACTION CONTROL AND USE THEREOF AMANO ENZYME INC. (JP) 2015-06-25 — — US claimed
EP-2862936-A1 OXIDOREDUCTASE REACTION CONTROL AND USE THEREOF Amano Enzyme Inc. (JP) 2015-04-22 — — EP claimed
EP-2862936-B1 OXIDOREDUCTASE REACTION CONTROL USING AMINO SUBSTITUTED BIPYRIDINIUM COMPOUNDS AMANO ENZYME INC (JP) 2021-12-22 — — EP disclosed
US-9777299-B2 Oxidoreductase reaction control and use thereof AMANO ENZYME INC. (JP) 2017-10-03 — — US disclosed
US-20150176037-A1 OXIDOREDUCTASE REACTION CONTROL AND USE THEREOF AMANO ENZYME INC. (JP) 2015-06-25 — — US disclosed
EP-2862936-A1 OXIDOREDUCTASE REACTION CONTROL AND USE THEREOF Amano Enzyme Inc. (JP) 2015-04-22 — — EP disclosed
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