SCHEMBL9059896

SCHEMBL9059896

CC(=O)CC(=O)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
P2RY14 Q15391 6/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP3A4 P08684 1/20 0.48
P2RY6 Q15077 1/20 0.48
ROCK2 O75116 1/20 0.46
EPHX1 P07099 2/20 0.45
QPCT Q16769 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.42
ATM Q13315 1/20 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
SCHEMBL9059907 0.89 NAMPT (0.66) NAMPTP2RY14CYP3A4P2RY6EPHX1
SCHEMBL22900681 0.85 NAMPT (0.54) NAMPTP2RY14CYP3A4P2RY6ROCK2
SCHEMBL839649 0.85 KDM4E (0.54) NAMPTP2RY14KDM4EMEN1ALDH1A1
SCHEMBL4577153 0.84 NAMPT (0.53) NAMPTP2RY14KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2397058 0.84 KDM4E (0.53) NAMPTP2RY14KDM4EMEN1ALDH1A1
SCHEMBL11582797 0.81 EPHX1 (0.56) NAMPTP2RY14KDM4EALDH1A1CYP1A2
SCHEMBL5265934 0.80 NAMPT (0.51) NAMPTP2RY14KMT2ACYP3A4P2RY6
SCHEMBL13373422 0.80 NAMPT (0.81) NAMPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL13373434 0.79 QPCT (0.53) NAMPTP2RY14KDM4EMEN1ALDH1A1
SCHEMBL31364144 0.79 QPCT (0.53) NAMPTP2RY14KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158888-B1 DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP claimed
EP-0158889-B1 AMINO AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP claimed
EP-0158888-A2 Disazo compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-23 EP claimed
EP-0158889-A2 Amino azo compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-23 EP claimed
JP-8295810-A None JP disclosed
CN-111763174-A Method for reducing distillation residues of 5-acetoacetylaminobenzimidazolone mother liquor 山东汇海医药化工有限公司 2020-10-13 CN disclosed
JP-H08295810-A PIGMENT AND COLORING COMPOSITION FOR COLOR FILTER TOYO INK MFG CO LTD 1996-11-12 JP disclosed
EP-0158888-B1 DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
US-4686287-A ORANGE PIGMENTS FOR INKS, PAINTS, PLASTICS, RUBBERS, PRINTING HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0158888-A2 Disazo compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-23 EP disclosed