SCHEMBL5675243

SCHEMBL5675243

COc1ccc(N(N)c2cccc(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.48
HSD17B1 P14061 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
AOC3 Q16853 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ENPP2 Q13822 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL10335914 0.91 ALDH1A1 (0.48) HSD17B2HSD17B1ALDH1A1CYP3A4MTNR1A
Hydrochloric Acid SCHEMBL6333716 0.88 ADRA2A (0.50) HSD17B2HSD17B1ALDH1A1CYP3A4MTNR1A
SCHEMBL7626558 0.84 CA4 (0.54) ALDH1A1CYP3A4MTNR1AMTNR1BCA1
SCHEMBL17461082 0.84 CA1 (0.58) ALDH1A1CYP3A4ACHEAOC3CA1
SCHEMBL21787829 0.83 ABL1 (0.49) HSD17B2HSD17B1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL10791254 0.82 CA4 (0.52) ALDH1A1CYP3A4MTNR1AMTNR1BCA1
Hydrochloric Acid SCHEMBL11274273 0.82 CA1 (0.55) ALDH1A1CYP3A4ACHEAOC3CA1
SCHEMBL8944101 0.81 HSD17B2 (0.50) HSD17B2HSD17B1ALDH1A1CYP3A4MTNR1A
SCHEMBL24178006 0.80 CYP1A2 (0.57) ALDH1A1MTNR1AMTNR1BRELASMN1; SMN2
SCHEMBL19725014 0.79 ALDH1A1 (0.52) HSD17B2HSD17B1ALDH1A1CYP3A4MTNR1A

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
EP-1421447-A4 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS LLC (US) 2006-09-06 EP disclosed
EP-1421447-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID Kodak Polychrome Graphics LLC (US) 2004-05-26 EP disclosed
WO-2003019294-A1 IMAGEABLE COMPOSITION CONTAINING INFRARED ABSORBER WITH COUNTER ANION DERIVED FROM A NON-VOLATILE ACID KODAK POLYCHROME GRAPHICS, L.L.C. (US) 2003-03-06 WO disclosed