SCHEMBL15955833

SCHEMBL15955833

Cc1ccc(Sc2cc(Cl)c([N+](=O)[O-])c(Cl)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 7/20 0.41
MAPT P10636 3/20 0.40
PDE7B Q9NP56 4/20 0.40
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15955635 0.81 LMNA (0.49) ALDH1A1TSHRPKMPDE7AMAPT
SCHEMBL15955575 0.78 TSHR (0.52) ALDH1A1TSHRPKMSMN1; SMN2PDE7A
SCHEMBL28284302 0.77 GAA (0.53) ALDH1A1TSHRPKMHPGDSMN1; SMN2
SCHEMBL7607268 0.77 PDE7A (0.58) ALDH1A1TSHRSMN1; SMN2PDE7AMAPT
SCHEMBL15955901 0.76 PKM (0.43) ALDH1A1PKMHPGDSMN1; SMN2PDE7A
SCHEMBL28284333 0.73 TSHR (0.56) ALDH1A1TSHRHPGDSMN1; SMN2PDE7A
SCHEMBL15955703 0.73 PKM (0.44) PKMHPGDSMN1; SMN2PDE7ALMNA
SCHEMBL15955631 0.72 PDE7A (0.46) ALDH1A1TSHRPDE7AMAPTPDE7B
SCHEMBL15955737 0.71 PDE7A (0.55) ALDH1A1TSHRHPGDSMN1; SMN2PDE7A
SCHEMBL9495799 0.71 TSHR (0.67) ALDH1A1TSHRSMN1; SMN2MAPTLMNA

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
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed