SCHEMBL3189307

SCHEMBL3189307

CC(c1ccccc1)N1C/C(=N/O)C(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 2/20 0.39
MAPK1 P28482 7/20 0.38
METAP2 P50579 2/20 0.38
CYP2D6 P10635 1/20 0.38
P2RX7 Q99572 1/20 0.35

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
SCHEMBL3189312 1.00 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL20183392 1.00 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL20183391 1.00 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL769859 0.84 KMT2A (0.41) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL785824 0.84 KMT2A (0.41) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL769861 0.84 KMT2A (0.41) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL769860 0.84 KMT2A (0.41) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL13484126 0.82 HSD11B1 (0.39) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL3203744 0.82 HSD11B1 (0.39) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL3195911 0.82 HSD11B1 (0.39) KMT2AHSD11B1MAPK1METAP2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0488227-B1 Optically active pyridobenzoxazine derivatives DAIICHI SEIYAKU CO (JP) 1997-02-26 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5463053-A Antimicrobial compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-10-31 US disclosed
EP-0488227-A2 Optically active pyridobenzoxazine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-06-03 EP disclosed