SCHEMBL9293554

SCHEMBL9293554

CC(C)(C)OC(=O)N1CCCC(c2nc[nH]n2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PRMT5 O14744 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
PIK3CD O00329 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL15878611 0.86 KDM4E (0.54) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL7464833 0.83 GPR119 (0.54) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL30922524 0.80 BACE1 (0.47) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL23124118 0.79 HPGDS (0.49) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL22122771 0.79 HPGDS (0.46) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL2731598 0.78 JAK2 (0.52) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL15551483 0.77 HPGDS (0.54) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL8037259 0.77 HPGDS (0.49) HPGDSJAK2JAK1MAPTALDH1A1
SCHEMBL23791261 0.76 GPR119 (0.59) HPGDSMAPTKDM4ETHRBGPR119
SCHEMBL31628820 0.75 HPGDS (0.53) HPGDSJAK2JAK1MAPTALDH1A1

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
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 WO disclosed