SCHEMBL27928641

SCHEMBL27928641

O=C(c1ccccc1)c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
VCAM1 P19320 2/20 0.50
CES2 O00748 2/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPK1 P28482 2/20 0.47
SLC25A1 P53007 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
POLB P06746 2/20 0.41
CDC25B P30305 1/20 0.41
DBH P09172 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL27716980 0.86 ALDH1A1 (0.52) ALDH1A1VCAM1CES2CA12CA1
Hydrazine SCHEMBL27587560 0.83 ALDH1A1 (0.50) ALDH1A1VCAM1CES2CA12CA1
SCHEMBL28002862 0.82 ALDH1A1 (0.49) ALDH1A1VCAM1CES2CA12CA1
SCHEMBL11289155 0.81 HPGD (0.59) ALDH1A1VCAM1CES2MAPK1FLT1
SCHEMBL9517119 0.80 FLT1 (0.47) ALDH1A1VCAM1CA12CA1CA2
SCHEMBL28132851 0.79 VCAM1 (0.49) ALDH1A1VCAM1MAPK1POLBCDC25B
SCHEMBL27979993 0.79 VCAM1 (0.60) ALDH1A1VCAM1CES2MAPK1POLB
SCHEMBL27605479 0.79 CASP6 (0.62) ALDH1A1VCAM1CES2MAPK1POLB
SCHEMBL29355334 0.79 CES2 (0.75) ALDH1A1VCAM1CES2MAPK1POLB
SCHEMBL11230405 0.79 CES2 (0.75) ALDH1A1VCAM1CES2MAPK1POLB

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-107295799-A Parg inhibiting compounds 癌症研究科技有限公司 2017-10-24 CN disclosed
CN-103418115-B Golf DUNLOP SPORTS CO., LTD. (JP) 2016-05-11 CN disclosed
CN-103446718-B Golf and its manufacture method DUNLOP SPORTS CO., LTD. (JP) 2016-01-20 CN disclosed
CN-102526995-B Golf ball SRI SPORTS LTD 2015-04-15 CN disclosed
CN-102526997-B Golf ball DUNLOP SPORTS CO LTD 2015-04-15 CN disclosed
CN-102485294-B Golf ball DUNLOP SPORTS CO., LTD. (JP) 2014-10-15 CN disclosed
CN-103446718-A Golf ball and method for manufacturing the same DUNLOP SPORTS CO LTD 2013-12-18 CN disclosed