SCHEMBL28680486

SCHEMBL28680486

COc1ccc(-c2cc(C(=O)Nc3ncc(-c4ccco4)[nH]3)c3ccccc3n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.58
▸ MAPT P10636 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ POLB P06746 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ DHODH Q02127 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ APOBEC3A P31941 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53

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
SCHEMBL28673422 0.90 MEN1 (0.59) KDM4EALDH1A1KMT2AMEN1APOBEC3A
SCHEMBL28931754 0.89 MEN1 (0.59) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28681436 0.88 STAT3 (0.61) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28683183 0.87 CHEK1 (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28695985 0.86 STAT3 (0.55) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28699093 0.86 CTDSP1 (0.62) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28673399 0.85 MEN1 (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28699068 0.85 STAT3 (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28690124 0.84 ALDH1A1 (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28679409 0.83 STAT3 (0.54) KDM4EMAPTALDH1A1KMT2AMEN1

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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