SCHEMBL9768609

SCHEMBL9768609

COc1ccc(NC(C)=O)cc1NN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHEK1 O14757 1/20 0.53
PYGL P06737 1/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL2088259 0.88 ALDH1A1 (0.64) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL6354556 0.85 ALDH1A1 (0.59) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL3042822 0.83 ALDH1A1 (0.56) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL8651201 0.81 ALDH1A1 (0.55) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL30492996 0.81 SMN1; SMN2 (0.68) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL1851780 0.81 SMN1; SMN2 (0.68) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL9192282 0.81 ALDH1A1 (0.56) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL11674710 0.80 POLB (0.60) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL12720599 0.80 ALDH1A1 (0.68) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL11487853 0.80 ALDH1A1 (0.54) ALDH1A1HTTMAPTKDM4EPOLB

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-5053494-A FIBER REACTIVE POLYAZO DYE HAVING TWO VINYLSULFONE TYPE REACTIVE GROUPS THROUGH TRIAZINYL BRIDGING GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0266774-B1 POLYAZO COMPOUND HAVING TWO VINYLSULFONE TYPE FIBER REACTIVE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-28 EP disclosed
EP-0266774-A1 Polyazo compound having two vinylsulfone type fiber reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-05-11 EP disclosed