SCHEMBL28699068

SCHEMBL28699068

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 3/20 0.54
▸ CACNA1B Q00975 2/20 0.54
▸ APBA1 Q02410 2/20 0.54
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ CTDSP1 Q9GZU7 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MCL1 Q07820 2/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51

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
SCHEMBL28681436 0.94 STAT3 (0.61) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28695985 0.92 STAT3 (0.55) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28690124 0.91 ALDH1A1 (0.58) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28683183 0.91 CHEK1 (0.58) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28673399 0.91 MEN1 (0.58) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28699093 0.90 CTDSP1 (0.62) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28679409 0.89 STAT3 (0.54) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28673422 0.89 MEN1 (0.59) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28683197 0.88 STAT3 (0.51) STAT3CACNA1BAPBA1KDM4EALDH1A1
SCHEMBL28931959 0.88 STAT3 (0.59) STAT3KDM4EALDH1A1HPGDTSHR

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 2 patents. 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
CN-112703001-A Combination cancer therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-04-23 — — CN disclosed
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