SCHEMBL9730689

SCHEMBL9730689

Nc1c(C2CCCC(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TOP2A P11388 7/20 0.40
TOP1 P11387 3/20 0.40
TOP2B Q02880 5/20 0.40
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39

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
SCHEMBL9731403 0.94 PIM1 (0.53) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9733323 0.89 PIM1 (0.51) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9733472 0.86 PIM1 (0.53) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9732049 0.85 PIM1 (0.51) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9731339 0.84 PIM1 (0.54) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9732888 0.84 PIM1 (0.52) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9730945 0.84 PIM1 (0.52) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9731714 0.84 ALDH1A1 (0.53) KDM4EALDH1A1POLBLMNACYP2C9
SCHEMBL9732912 0.83 LMNA (0.55) PIM1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9731270 0.83 PIM1 (0.52) PIM1KDM4EALDH1A1POLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374180-A1 4-QUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-06-27 EP claimed
US-4929613-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-05-29 US claimed
EP-0306764-A2 4-Quinolone-3-carboxylic-acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-15 EP claimed
WO-1989001933-A2 4-QUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-03-09 WO claimed
US-5081254-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-01-14 US disclosed
US-4929613-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
EP-0306764-A2 4-Quinolone-3-carboxylic-acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed