SCHEMBL28697036

SCHEMBL28697036

O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ CACNA1B Q00975 1/20 0.53
▸ APBA1 Q02410 1/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ STAT3 P40763 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ SAE1 Q9UBE0 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
SCHEMBL28683197 0.92 STAT3 (0.51) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28681436 0.89 STAT3 (0.61) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28690124 0.87 ALDH1A1 (0.58) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28699093 0.85 CTDSP1 (0.62) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28931754 0.85 MEN1 (0.59) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28696288 0.85 CACNA1B (0.53) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28695985 0.84 STAT3 (0.55) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28673399 0.83 MEN1 (0.58) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28699068 0.83 STAT3 (0.54) MAPTALDH1A1CACNA1BAPBA1MEN1
SCHEMBL28683183 0.83 CHEK1 (0.58) MAPTALDH1A1CACNA1BAPBA1MEN1

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
Send feedback