SCHEMBL28683197

SCHEMBL28683197

O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.51
▸ MAPT P10636 7/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ CTDSP1 Q9GZU7 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MCL1 Q07820 2/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL28697036 0.92 MAPT (0.55) STAT3MAPTMEN1KMT2APAX8
SCHEMBL28681436 0.90 STAT3 (0.61) STAT3MAPTMEN1KMT2AGAA
SCHEMBL28695985 0.89 STAT3 (0.55) STAT3MAPTMEN1KMT2ACACNA1B
SCHEMBL28699070 0.89 MAPT (0.57) MAPTMEN1KMT2APAX8GAA
SCHEMBL28683183 0.88 CHEK1 (0.58) STAT3MAPTMEN1KMT2ACACNA1B
SCHEMBL28673399 0.88 MEN1 (0.58) STAT3MAPTMEN1KMT2ACACNA1B
SCHEMBL28699068 0.88 STAT3 (0.54) STAT3MAPTMEN1KMT2ACACNA1B
SCHEMBL28699093 0.87 CTDSP1 (0.62) STAT3MAPTMEN1KMT2AGAA
SCHEMBL28679409 0.86 STAT3 (0.54) STAT3MAPTMEN1KMT2ACACNA1B
SCHEMBL28673422 0.86 MEN1 (0.59) STAT3MEN1KMT2ACACNA1BAPBA1

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-113747920-A Immune checkpoint inhibitor combination therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-12-03 — — CN disclosed
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