SCHEMBL5133401

SCHEMBL5133401

CC(C)(C)OC(=O)c1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
POLB P06746 3/20 0.38
NR3C2 P08235 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 5/20 0.37
HPGD P15428 2/20 0.36
ALOX5 P09917 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
NR1D1 P20393 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL31014187 0.84 GPR35 (0.47) RAB9ANPC1POLBNR3C2SMN1; SMN2
SCHEMBL31014185 0.84 GPR35 (0.47) RAB9ANPC1POLBNR3C2SMN1; SMN2
SCHEMBL4373422 0.84 ALDH1A1 (0.53) RAB9ANPC1POLBNR3C2SMN1; SMN2
SCHEMBL1979862 0.83 ALDH1A1 (0.49) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL17707773 0.82 LMNA (0.40) RAB9ANPC1POLBNR3C2SMN1; SMN2
SCHEMBL28270666 0.80 ITGB1 (0.38) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL17707769 0.79 CRHBP (0.46) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL3785486 0.79 TSHR (0.53) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31187277 0.79 TSHR (0.45) RAB9ANPC1NR3C2SMN1; SMN2MEN1
SCHEMBL4378724 0.79 NR1D1 (0.39) RAB9ANPC1POLBNR3C2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 CN disclosed
EP-3456705-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2020-12-16 EP disclosed
EP-3456705-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2019-03-20 EP disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 EP disclosed
EP-3015451-A1 METHOD FOR MANUFACTURING NITROBENZENE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2016-05-04 EP disclosed
EP-1999131-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-10 EP disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO disclosed