SCHEMBL1962989

SCHEMBL1962989

O=C1NCCCN1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 2/20 0.49
ACHE P22303 1/20 0.49
HTT P42858 1/20 0.49
DPP4 P27487 1/20 0.46
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44

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
SCHEMBL2581182 0.80 ACHE (0.48) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL28782635 0.77 ACHE (0.48) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL27834661 0.77 MAPT (0.68) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL4525195 0.77 MAPT (1.00) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL12165201 0.75 ACHE (0.53) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL4595458 0.74 SMN1; SMN2 (0.64) MAPTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL2372693 0.74 ACHE (0.70) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL12511057 0.74 ACHE (0.74) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL9621558 0.74 ACHE (0.65) ALDH1A1KDM4EKMT2APOLBMEN1
Pyrrolidine SCHEMBL21177464 0.73 ACHE (0.60) ALDH1A1KDM4EKMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137841-B Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2014-05-14 CN disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed