SCHEMBL20475016

SCHEMBL20475016

c1ccc(N(OON(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2A6 P11509 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
KEAP1 Q14145 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
HPRT1 P00492 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL28120671 0.85 SIGMAR1 (0.49) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL292397 0.77 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL272955 0.77 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30799092 0.77 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18532161 0.77 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29906514 0.77 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL76828 0.75 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
Water SCHEMBL10786412 0.75 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4580501 0.75 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8023922 0.75 SIGMAR1 (0.50) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

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-10633607-B2 Lubricant with sulfur-containing polyalkylene glycol DOW GLOBAL TECHNOLOGIES LLC (US) 2020-04-28 US disclosed
US-20180237714-A1 LUBRICANT WITH SULFUR-CONTAINING POLYALKYLENE GLYCOL DOW GLOBAL TECHNOLOGIES LLC (US) 2018-08-23 US disclosed
CN-107922877-A LUBRICANT WITH SULFUR-CONTAINING POLYALKYLENE GLYCOL 陶氏环球技术有限责任公司 2018-04-17 CN disclosed