SCHEMBL4918318

SCHEMBL4918318

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CCR8 P51685 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
EPHX2 P34913 1/20 0.31
AKR1C3 P42330 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7080179 0.85 RAB9A (0.38) ALDH1A1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL7694535 0.85 ALDH1A1 (0.40) ALDH1A1POLBRAB9AKMT2AKDM4E
SCHEMBL546386 0.82 CES2 (0.45) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL8423373 0.81 RAB9A (0.36) ALDH1A1SMN1; SMN2POLBRAB9AKDM4E
SCHEMBL29904429 0.74 POLB (0.41) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL9010850 0.72 CA2 (0.49) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8637821 0.72 KMT2A (0.53) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL384364 0.72 CES2 (0.51) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL384366 0.72 CES2 (0.51) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL36845 0.72 CA12 (0.30) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070998-A1 Foam Production Method OJI PAPER CO., LTD. (JP) 2008-03-20 US disclosed