SCHEMBL10751685

SCHEMBL10751685

Cc1nn(C)c(O)c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
GRK5 P34947 1/20 0.49
LIMK1 P53667 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL10754320 0.87 MEN1 (0.52) L3MBTL1SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL10751239 0.86 MAPT (0.49) L3MBTL1ALDH1A1MAPK1MAPTPOLB
SCHEMBL10751994 0.79 TSHR (0.54) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10754799 0.79 TPMT (0.39) L3MBTL1MEN1KMT2AHPGDMAPT
SCHEMBL10755218 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL10751516 0.78 TSHR (0.42) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL10752526 0.76 MAPT (0.40) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10751293 0.74 KDM4E (0.45) CYP3A4ALDH1A1HPGDMAPTNPC1
SCHEMBL10751487 0.74 POLB (0.42) CYP3A4ALDH1A1KMT2AHPGDMAPT
SCHEMBL10750105 0.73 HPGD (0.46) L3MBTL1SMN1; SMN2CYP3A4ALDH1A1HPGD

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
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 US disclosed
US-4508910-A Herbicidal 4-benzoyl-5-hydroxy-pyrazales SANKYO COMPANY LTD. (JP) 1985-04-02 US disclosed
US-4414392-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY, LTD. (JP) 1983-11-08 US disclosed
US-4301293-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LTD. (JP) 1981-11-17 US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 US disclosed