SCHEMBL8638288

SCHEMBL8638288

O=C(O)OC(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.43
FEN1 P39748 1/20 0.42
MAPT P10636 1/20 0.41
PTK2B Q14289 1/20 0.41
KMT2A Q03164 2/20 0.39
TXNRD1 Q16881 1/20 0.38
TSHR P16473 1/20 0.38
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
PBRM1 Q86U86 1/20 0.37
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8638289 0.90 ALDH1A1 (0.52) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL5703139 0.83 ALDH1A1 (0.58) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL5703150 0.77 LMNA (0.48) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL3316731 0.76 ALDH1A1 (0.50) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL28263768 0.76 CA12 (0.52) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL27920412 0.76 ALDH1A1 (0.50) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL21295475 0.76 ALDH1A1 (0.45) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL28340585 0.74 ALDH1A1 (0.58) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL23926925 0.74 ALDH1A1 (0.44) ALDH1A1LMNAFEN1MAPTPTK2B
SCHEMBL3979030 0.72 ALDH1A1 (0.45) ALDH1A1LMNAFEN1MAPTPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519140-B1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acids, esters and salts thereof, and intermediates used in this method HYBRINOVA (FR) 1998-07-29 EP disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed