SCHEMBL28699093

SCHEMBL28699093

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 6/20 0.62
▸ KDM4E B2RXH2 8/20 0.62
▸ ALDH1A1 P00352 8/20 0.62
▸ L3MBTL1 Q9Y468 7/20 0.62
▸ POLB P06746 7/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ MCL1 Q07820 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ SAE1 Q9UBE0 1/20 0.62
▸ UBA2 Q9UBT2 1/20 0.62
▸ CACNA1B Q00975 1/20 0.61
▸ APBA1 Q02410 1/20 0.61
▸ HPGD P15428 4/20 0.61
▸ THRB P10828 2/20 0.61
▸ TDP1 Q9NUW8 5/20 0.60
▸ APOBEC3A P31941 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ HSD17B10 Q99714 2/20 0.60

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) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28698376 0.91 POLB (0.61) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28695985 0.91 STAT3 (0.55) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28693620 0.91 STAT3 (0.52) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28693080 0.91 STAT3 (0.64) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28683183 0.90 CHEK1 (0.58) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28683191 0.90 MEN1 (0.54) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28699068 0.90 STAT3 (0.54) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28673399 0.90 MEN1 (0.58) CTDSP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL28679478 0.90 ALDH1A1 (0.53) CTDSP1KDM4EALDH1A1L3MBTL1POLB

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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