SCHEMBL6579680

SCHEMBL6579680

C=CCCCCN(C(=O)COCCCC)c1cc(NC(C)=O)ccc1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 7/20 0.36
NPC1 O15118 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 2/20 0.33
LMNA P02545 3/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6579853 0.89 TDP1 (0.38) HPGDRECQLTDP1KMT2ASMN1; SMN2
SCHEMBL6581222 0.86 LMNA (0.36) HPGDTDP1KMT2ASMN1; SMN2NPC1
SCHEMBL6579068 0.86 HPGD (0.38) HPGDRECQLTDP1KMT2ASMN1; SMN2
SCHEMBL6577324 0.85 KMT2A (0.39) HPGDRECQLTDP1KMT2ASMN1; SMN2
SCHEMBL6578826 0.85 CYP1A2 (0.39) TDP1KMT2ASMN1; SMN2NPC1CYP1A2
SCHEMBL6579279 0.83 LMNA (0.35) HPGDTDP1KMT2ASMN1; SMN2NPC1
SCHEMBL6581167 0.83 LMNA (0.35) HPGDTDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6579046 0.83 LMNA (0.35) HPGDTDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6581100 0.82 SMN1; SMN2 (0.42) HPGDTDP1KMT2ASMN1; SMN2MEN1
SCHEMBL6579280 0.82 CYP1A2 (0.37) KMT2ASMN1; SMN2NPC1CYP1A2CYP2C9

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-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed