SCHEMBL8391027

SCHEMBL8391027

CCN(CC)c1ccc2c(c1)Oc1ccccc1C2c1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPSR1 Q6W5P4 5/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
USP2 O75604 3/20 0.42
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 3/20 0.40

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
SCHEMBL3890180 0.98 MAPT (0.48) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL12923595 0.93 MAPT (0.45) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9176269 0.93 MAPT (0.47) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7194575 0.92 MAPT (0.44) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7186463 0.91 MAPT (0.42) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9115816 0.91 MAPT (0.42) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL236735 0.89 LMNA (0.41) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9114656 0.89 MAPT (0.43) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL29860188 0.89 LMNA (0.41) CYP2C9MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9171441 0.89 MAPT (0.42) CYP2C9MAPTSMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955224-A THERMALLY IMAGEABLE COMPOSITION COMPRISING NEAR INFRARED-ABSORBING DYE, HEXAARYLBIIMIDAZOLE COMPOUND, LEUCO DYE, ACID GENERATING COMPOUND, POLYMERIC BINDER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed
US-5858583-A ELEMENT COMPRISING SUPPORT AND THERMALLY IMAGEABLE COMPOSITION COMPRISING HEXAARYLBIIMIDAZOLE COMPOUND, LEUCO DYE, ACID-GENERATING COMPOUND, POLYMERIC BINDER, NEAR INFRARED ABSORBING DYE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-12 US disclosed
US-5789135-A Light-and heat-sensitive recording material and recording method by use thereof KONICA CORPORATION (JP) 1998-08-04 US disclosed