SCHEMBL10980004

SCHEMBL10980004

O=NNc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
KEAP1 Q14145 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL3842734 0.84 KDM4E (0.52) KDM4EGAAKEAP1POLBCYP3A4
Phenol SCHEMBL30295516 0.79 CYP3A4 (0.47) KDM4EGAAKEAP1POLBCYP3A4
SCHEMBL30332497 0.78 ALDH1A1 (0.52) KDM4EGAAKEAP1CYP3A4ALDH1A1
SCHEMBL28937735 0.78 ALDH1A1 (0.52) KDM4EGAAKEAP1CYP3A4ALDH1A1
SCHEMBL27734260 0.75 KDM4E (0.46) KDM4EGAAKEAP1CYP3A4ALDH1A1
SCHEMBL29893314 0.75 HSD17B10 (0.59) KDM4EGAAKEAP1CYP3A4ALDH1A1
SCHEMBL10696510 0.75 ALOX15 (0.49) KDM4EGAAKEAP1POLBCYP3A4
SCHEMBL25302086 0.74 ALDH1A1 (0.59) KDM4EGAAKEAP1POLBCYP3A4
SCHEMBL29350007 0.74 ALDH1A1 (0.59) KDM4EGAAKEAP1POLBCYP3A4
SCHEMBL27953 0.74 ALDH1A1 (0.59) KDM4EGAAKEAP1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051365-B1 ANAEROBICALLY CURING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-01-09 EP claimed
US-4373077-A Anaerobically curing compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-02-08 US claimed
EP-0051365-A1 Anaerobically curing compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-05-12 EP claimed
EP-0051365-B1 ANAEROBICALLY CURING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-01-09 EP disclosed
US-4373077-A Anaerobically curing compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-02-08 US disclosed
EP-0051365-A1 Anaerobically curing compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-05-12 EP disclosed