SCHEMBL10945355

SCHEMBL10945355

CC(=O)CC(=O)N(C(=O)CC(C)=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 4/20 0.39
CYP1A2 P05177 2/20 0.39
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
DHFR P00374 1/20 0.38
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
PPIB P23284 2/20 0.36
CYP2C19 P33261 3/20 0.36

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
SCHEMBL9411919 0.80 MTNR1A (0.46) CYP3A4ALDH1A1TSHRTP53LMNA
SCHEMBL26108874 0.77 CYP3A4 (0.48) TDP1CYP3A4ALDH1A1MAPK1TSHR
SCHEMBL11322308 0.77 LMNA (0.39) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL28587375 0.73 MTNR1A (0.43) ALDH1A1TSHRTP53LMNASMN1; SMN2
SCHEMBL10397858 0.73 CRHBP (0.46) CYP3A4ALDH1A1TSHRL3MBTL1TP53
Acetoacetic Acid SCHEMBL10586878 0.73 MAPT (0.48) TDP1CYP3A4TSHRRECQLGFER
SCHEMBL2284325 0.72 TDP1 (0.46) TDP1CYP3A4ALDH1A1MAPK1TSHR
SCHEMBL11523520 0.72 CYP19A1 (0.40) TDP1CYP3A4ALDH1A1MAPK1TSHR
SCHEMBL10964187 0.72 MAPT (0.47) TDP1CYP3A4ALDH1A1MAPK1TSHR
SCHEMBL11581610 0.70 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517357-A COLORING PAPER BAYER AKTIENGESELLSCHAFT (DE) 1985-05-14 US disclosed
US-4222788-A Mixed pigment and process of preparing the same BASF FARBEN & FASERN AG (DE) 1980-09-16 US disclosed
US-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4055559-A ACETYLACETANILIDO CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-3988312-A TETRAKISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed