SCHEMBL28699070

SCHEMBL28699070

O=C(Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ PAX8 Q06710 1/20 0.57
▸ GAA P10253 1/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GFER P55789 1/20 0.49
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ PTGER4 P35408 1/20 0.48

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
SCHEMBL28683197 0.89 STAT3 (0.51) MAPTKMT2AMEN1PAX8GAA
SCHEMBL28931959 0.86 STAT3 (0.59) MAPTKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL28691066 0.84 CYP3A4 (0.68) MAPTKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL28677540 0.84 MEN1 (0.54) MAPTKMT2AMEN1PAX8GAA
SCHEMBL28672666 0.82 CYP2C9 (0.68) MAPTKMT2AMEN1GAACYP3A4
SCHEMBL28697036 0.82 MAPT (0.55) MAPTKMT2AMEN1PAX8GAA
SCHEMBL28690150 0.81 STAT3 (0.61) MAPTKMT2AMEN1CYP3A4LMNA
SCHEMBL28681436 0.79 STAT3 (0.61) MAPTKMT2AMEN1GAACYP3A4
SCHEMBL28680454 0.77 TP53 (0.55) MAPTKMT2AMEN1GAACYP3A4
SCHEMBL1900306 0.77 MAPT (0.77) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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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