SCHEMBL7080179

SCHEMBL7080179

[N-]=[N+]=C(C(=O)c1ccccc1)S(=O)(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
MCL1 Q07820 1/20 0.36
POLB P06746 3/20 0.35
KMO O15229 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8423373 0.96 RAB9A (0.36) RAB9ANPC1CES2CES1MCL1
SCHEMBL4918318 0.85 ALDH1A1 (0.36) RAB9APOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL6753539 0.77 CES2 (0.41) CES2CES1HTT
SCHEMBL6755802 0.77 CES2 (0.41) CES2CES1HTT
SCHEMBL6755828 0.77 CES2 (0.41) CES2CES1HTT
SCHEMBL384658 0.76 CES2 (0.46) RAB9ACES2CES1ALDH1A1SMN1; SMN2
SCHEMBL7694535 0.73 ALDH1A1 (0.40) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL207711 0.71 CES2 (0.45) CES2CES1ALDH1A1
SCHEMBL546386 0.71 CES2 (0.45) RAB9ANPC1CES2CES1ALDH1A1
SCHEMBL6931693 0.70 CES2 (0.47) CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115185156-A Photosensitive resin composition for forming partition wall, organic electroluminescent element, image display device, and illumination 三菱化学株式会社 2022-10-14 CN disclosed
CN-109661855-B Photosensitive resin composition for forming organic electroluminescent element spacer, organic electroluminescent element, image display device, and lighting 三菱化学株式会社 2022-07-08 CN disclosed
EP-0780732-B1 Polymer composition and resist material WAKO PURE CHEM IND LTD (JP) 2003-07-09 EP disclosed
EP-0780732-A2 Polymer composition and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-06-25 EP disclosed