SCHEMBL28167830

SCHEMBL28167830

NC(=O)c1ccc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=CC2=N3)C=C6)C=C5)C=C4)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.35
▸ MKNK2 Q9HBH9 11/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ IKBKB O14920 2/20 0.32
▸ CHUK O15111 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PARP15 Q460N3 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP16 Q8N5Y8 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ PARP4 Q9UKK3 1/20 0.31

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
SCHEMBL28351381 0.89 BCL2L1 (0.33) MKNK1MKNK2CA12CA1CA2
SCHEMBL28807790 0.86 BCL2L1 (0.33) MKNK1MKNK2CA12CA1CA2
SCHEMBL11337785 0.86 BCL2L1 (0.33) MKNK1MKNK2CA12CA1CA2
SCHEMBL28332937 0.86 BCL2L1 (0.33) MKNK1MKNK2CA12CA1CA2
SCHEMBL28044448 0.83 SETD7 (0.47) CA12CA1CA2CA9CA14
SCHEMBL28289587 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28295369 0.82 ESR1 (0.30) —
SCHEMBL23909134 0.82 SETD7 (0.46) CA12CA1CA2CA9CA14
SCHEMBL23909137 0.82 SETD7 (0.46) CA12CA1CA2CA9CA14
SCHEMBL23909136 0.82 SETD7 (0.46) CA12CA1CA2CA9CA14

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-106955605-A Polyamide VOCs (volatile organic compounds) interception type polymer separation membrane and preparation method thereof 南京工业大学 2017-07-18 — — CN disclosed
CN-102206220-B Preparation method and application of camphor manganese porphyrin UNIV SHANXI NORMAL 2013-10-09 — — CN disclosed
CN-102206220-A Preparation method and application of camphor manganese porphyrin UNIV SHANXI NORMAL 2011-10-05 — — CN disclosed
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