SCHEMBL7090977

SCHEMBL7090977

N#Cc1cc(C#N)cc([N+](=O)[O-])c1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.91
CYP19A1 P11511 1/20 0.48
XDH P47989 1/20 0.47
TSHR P16473 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.41
RAD51 Q06609 1/20 0.41

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
SCHEMBL1005421 0.95 VCAM1 (1.00) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL16953139 0.90 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRGRIN2D
Acetonitrile SCHEMBL27788615 0.89 VCAM1 (0.88) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL28264338 0.87 VCAM1 (0.69) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL3771130 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL1344128 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL15517110 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRALDH1A1
SCHEMBL1521510 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRALDH1A1
SCHEMBL2303201 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRGRIN2D
SCHEMBL6742047 0.86 VCAM1 (0.74) VCAM1CYP19A1XDHTSHRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664683-B A kind of continuous diazotising production technology of aromatic amine 浙江龙盛集团股份有限公司 2018-05-11 CN claimed
CN-106444680-A Building power saving control system based on ZigBee communication technology, and operating method of the same 江苏建筑职业技术学院 2017-02-22 CN claimed
CN-106444680-A Building power saving control system based on ZigBee communication technology, and operating method of the same 江苏建筑职业技术学院 2017-02-22 CN disclosed
EP-0763026-B1 GASTRIN AND CCK ANTAGONISTS BLACK JAMES FOUNDATION (GB) 2003-03-26 EP disclosed
US-5912260-A GASTRIC ACID SECRETION JAMES BLACK FOUNDATION LIMITED (GB) 1999-06-15 US disclosed
EP-0763026-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-03-19 EP disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 WO disclosed
US-4066637-A BASIC DIAMINOPYRIDINE-(3)-AZO DYESTUFFS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed