SCHEMBL15955737

SCHEMBL15955737

O=[N+]([O-])c1c(Cl)cc(Sc2ccccc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.55
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PDE7B Q9NP56 2/20 0.51
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP47 Q96K76 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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 0.83 LMNA (0.49) PDE7ATSHRALDH1A1MAPTLMNA
SCHEMBL15955642 0.81 ALDH1A1 (0.50) PDE7ATSHRALDH1A1PDE7BMAPT
SCHEMBL10786431 0.79 PDE7A (0.74) PDE7ATSHRALDH1A1PDE7BMAPT
SCHEMBL15955631 0.79 PDE7A (0.46) PDE7ATSHRALDH1A1PDE7BMAPT
SCHEMBL15955714 0.79 MAPT (0.46) PDE7ATSHRALDH1A1MAPTLMNA
SCHEMBL15955575 0.79 TSHR (0.52) PDE7ATSHRALDH1A1MAPTLMNA
SCHEMBL11574501 0.76 PDE7A (0.56) PDE7APDE7BMAPTLMNASMN1; SMN2
SCHEMBL15955521 0.76 PDE7A (0.43) PDE7ATSHRALDH1A1MAPTLMNA
SCHEMBL28291132 0.76 ALDH1A1 (0.57) PDE7ATSHRALDH1A1LMNACYP3A4
SCHEMBL30418652 0.75 TDP1 (0.46) PDE7AALDH1A1PDE7BMAPTLMNA

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