SCHEMBL7054740

SCHEMBL7054740

Cn1c([N+](=O)[O-])cnc1C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
THRB P10828 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.38
CHRM1 P11229 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ATM Q13315 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL11697607 0.82 LMNA (0.49) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11715920 0.82 LMNA (0.51) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL2117045 0.80 LMNA (0.50) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL11697615 0.79 LMNA (0.49) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL2117211 0.79 LMNA (0.56) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL29625078 0.76 LMNA (0.47) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11698364 0.76 LMNA (0.50) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL11275128 0.75 LMNA (0.46) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11730855 0.75 LMNA (0.52) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11825870 0.74 LMNA (0.51) LMNAALDH1A1MAPK1THRBTSHR

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
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed